Show unknown modifications as delta mass in peptidoform#126
Merged
RalfG merged 1 commit intoCompOmics:mainfrom Oct 24, 2025
Merged
Show unknown modifications as delta mass in peptidoform#126RalfG merged 1 commit intoCompOmics:mainfrom
RalfG merged 1 commit intoCompOmics:mainfrom
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Fixed
io.mzid: Show unknown modifications (MS:1001460) as delta mass in peptidoformThis 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.