Show unknown modifications as delta mass in peptidoform #126
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Outdated suggestions cannot be applied.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.
This fixes a problem with MzIdentML files where some modifications are reported as
MS:1001460
, "unknown modification". Currently this results in peptidoforms such asPEPTID[unknown modification]E
, where the modification can not be resolved and its mass information is lost.With the fix, "unknown modification" is handled separately, producing instead a peptidoform with a delta-mass-designated modification, which allows mass calculations.
An example of a search engine producing affected mzid files is Comet 2025.02.0.