ORIGAMI (1.0.0)
An initial release of ORIGAMIMS and ORIGAMIANALYSE !
ORIGAMI is designed to provide intuitive graphical interface for routine analysis of mass spectrometry and ion mobility mass spectrometry datasets. The program was designed with activated IM-MS (or CIU) datasets in mind, in particular to speed up the extraction of data, processing and improve the visualisation methods that are currently available.
First, let's start off with ORIGAMIMS :
Current version: 1.0.2
In this version, you are able to perform collisional activation ramp on Waters Synapt G2/G2S and G2Si instruments in the trap collision cell or in the sample cone in either positive or negative ionisation mode. The gradient of the ramp is determined by the provided parameters. Currently there are four available methods which include: linear, exponential, Boltzmann and User-defined. These differ quite significantly from one another, so if you would like more information, please refer to the publication or the User Guide.
There are a couple of requirements for the program to run:
- You will need an ion mobility instrument: Synapt G2/G2S or G2Si
- Installed WREnS. I have been using version 2.15.7 but older versions should work too (it just needs to have the mini-program ScriptRunnerLight.exe
- Driftscope and ORIGAMIANALYSE to analyse your data
Main features:
- Clean and simple to use GUI
- Simplified and speed-up acquisition of activated IM-MS/CIU datasets
- Selection of built-in methods to perform collisional activation
- Allows activation in the sample cone or trap collision cell
- Works in both positive and negative mode
- Easy to analyse in ORIGAMIANALYSE
Now, ORIGAMIANALYSE:
Current version: 1.0.0
In this initial release, you are able to perform direct analysis of MassLynx files, either in a single or batch modes. The program works pretty well to automate and simplify a lot of tedious tasks, i.e. extracting and forming 2D arrays. For the time being, ORIGAMIANALYSE can analyse text and MassLynx files only.
The only requirement for the program to work is a local installation of Driftscope and that it is run on a 64bit Windows 7/8/10 machine.
Main features:
- Allows direct analysis of single or multiple ORIGAMIMS files
- Speeds-up your analysis process by simplifying processing of manually acquired aIM-MS datasets (CIU, SID, ERMS…)
- Easy to use extraction tools for single or multiple MassLynx files
- Easy to maintain project files – saves all your data (MS, RT, 1D, 2D…) in one place which you can share with colleagues or come back to it later
- Lots of visualisation options to stylise your aIM-MS plots
- Comprehensive comparison tools with mask, transparent, RMSD, RMSF and many other plot types
- Export all your data in an interactive format and share it with the community
- Save all your data in text format
- Save each figure in your desired format
Still under development:
- The CCS calibration has not been fully optimised yet and several features have been disabled as they were causing issues - working on a fix and will update soon
- The Drtift-Time panel is very much under-developed and is missing a lot of features - it aims to simplify analysis of WREnS acquired DT-IMS datasets (not released yet)
Apart from that, most other features should work as intended (should is the key word here).
I am currently writing comprehensive guides, as I am aware there might be a lot of features and buttons in the GUI! I will be updating it frequently on GitHub. Also making a couple of instructional videos, since that is usually better than reading a long boring guide.
If you have any problems, questions or would just like to chat, please contact me on lukasz.migas@manchester.ac.uk.
Thanks,
Lukasz Migas