ProteoWizard / pwiz

The ProteoWizard Library is a set of software libraries and tools for rapid development of mass spectrometry and proteomic data analysis software.
http://proteowizard.sourceforge.net/
Apache License 2.0
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"Consensus" representation of ETciD and EThcD spectra in MzML #3017

Open caetera opened 1 month ago

caetera commented 1 month ago

Participating in discussions about OpenMS (https://github.com/OpenMS/OpenMS/issues/7499) and TRFP (https://github.com/compomics/ThermoRawFileParser/issues/182) issues I learned that there is a certain uncertainty as to how spectra with supplemental activation (ETciD/EThcD) should be represented.

Namely, there are two almost equivalent terms in PSI-MS fitting to that kind of fragmentation, and, further, there is a discrepancy in how MSConvert and TRFP represent these spectra. These discrepancies lead to problems with downstream tools.

It would be nice to have a community-recognized way to represent these types of spectra.

I have opened an issue with PSI-MS (https://github.com/HUPO-PSI/psi-ms-CV/issues/285) to determine which CV term is preferred and I would be happy to hear your take on it.