Update element_data.json #6
Open
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
R as an indistinguishable isotope is not being considered because it doesn't exist in the element dictionary. While considering derivatives in GCMS correction R is being used as a proxy for indistinguishable Carbons. For example in a compound with formula, C5H34O2R12, it is assumed that at max 5 Carbons can be labeled in the experiment, the rest 12 (given by R12) can't be labeled in the experiment. Lable for those 12 carbons can only come from indistinguishable isotopes.
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
R as an indistinguishable isotope is not being considered because it doesn't exist in the element dictionary. While considering derivatives in GCMS correction R is being used as a proxy for indistinguishable Carbons. For example in a compound with formula, C5H34O2R12, it is assumed that at max 5 Carbons can be labeled in the experiment, the rest 12 (given by R12) can't be labeled in the experiment. Lable for those 12 carbons can only come from indistinguishable isotopes.