Peaks pipeline update - Githubissues

compomics / ms2rescore

Modular and user-friendly platform for AI-assisted rescoring of peptide identifications

https://ms2rescore.readthedocs.io

Apache License 2.0

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Peaks pipeline update #66

Closed ArthurDeclercq closed 2 years ago

ArthurDeclercq commented 2 years ago

Improvements 🚀

Parse retention time and ion mobility (if present) from mzid
Calculate additional search engine features (absdM, dM)
Bug fixes
Charge was not inlcuded in the output pin file

Refactoring and minor changes 🔧

One hot encoding for the charge
Removed merging from rt parsing