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

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robinschmid opened this issue Oct 18, 2023 · 0 comments

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robinschmid commented Oct 18, 2023

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

niekdejonge mentioned this issue

Proposed quality control workflow #9

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niekdejonge added the mzmine label

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