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compomics / ms2pip

MS²PIP: Fast and accurate peptide spectrum prediction for multiple fragmentation methods, instruments, and labeling techniques.
https://ms2pip.readthedocs.io
Apache License 2.0
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Precursor m/z restriction option (for spectral library purposes)? #187

Closed patrick-willems closed 1 year ago

patrick-willems commented 1 year ago

Hey,

Thanks for the great fasta2speclib tool, works really good! Perhaps it would be a good option to also have a filter on minimum and maximum peptide precursor m/z in the configuration file? In SWATH-MS you will have predefined min and maxima for your recorded m/z windows, hence for instance I would only be interested in 400-900 m/z peptide precursors. This might speed up the whole prediction and reduce spectral library size for a full proteome quite some. Not really a critical issue of course..

RalfG commented 1 year ago

Sounds like a good idea! We are in the process of refactoring fasta2speclib, so I can easily add it to the wish list.

RalfG commented 1 year ago

Closing to add this feature request to the list in #188