PyProphet / pyprophet

PyProphet: Semi-supervised learning and scoring of OpenSWATH results.
http://www.openswath.org
BSD 3-Clause "New" or "Revised" License
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[FEATURE] Integrated MS1 & MS2 scoring #27

Closed grosenberger closed 6 years ago

grosenberger commented 6 years ago

This PR adds back support for integrated MS1 & MS2 scoring (level=ms1ms2). This mode can be used instead of level=ms2 and will write the results to SCORE_MS2 to maintain compatibility with downstream filters.

Further changes include input file sanity checks and removal of duplicate main_var score, which is why the regression tests needed to be updated.