QuantSysBio / inSPIRE

in silico Spectral Predictor Informed REscoring
GNU General Public License v2.0
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inSPIRE-1.2 Callibration on Mascot Results and Unknown Modification Filtering #8

Closed jamc1996 closed 1 year ago

jamc1996 commented 1 year ago

Improvements to: 1) deal with edge case leading to problems with collision energy calibration of Mascot search results. (No issues for PEAKS or MaxQuant). 2) clean up the section on dropping unknown PTMs where the logic was confusing. Now separated into it's own function. 3) add unit testing for the dropping of unknown PTMs.