QC: Sub formula - Explained signals and explained intensity - Githubissues

mzmine / biohack23_p15

MIT License

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QC: Sub formula - Explained signals and explained intensity #7

Open robinschmid opened 10 months ago

robinschmid commented 10 months ago

MZmine

Very simple approach to score the MS2 signals that only sorts out really bad spectra / formulas
Computes all possible sub formulas for the compound
No checks on the formula! Might add some in the future?
See if any of those match to the fragment signals in MS2