processProblematicPeaks: Generate list of problematic peaks

In sneumann/RMassBank: Workflow to process tandem MS files and build MassBank records

Description

Generates a list of intense unmatched peaks for further review (the "failpeak list") and exports it if the archive name is given.

Usage

processProblematicPeaks(w, archivename = NA)

Arguments

w	msmsWorkspace to analyze.
archivename	Base name of the archive to write to (for "abc" the exported failpeaks list will be "abc_Failpeaks.csv"). if the compoundlist is complete, "tentative", if at least a formula is present or "unknown" if the only know thing is the m/z
mode	Processing mode (pH etc)

Value

Returns the aggregate data.frame with added column "problematic" (logical) which marks peaks which match the problematic criteria

Author(s)

stravsmi

sneumann/RMassBank documentation built on Oct. 20, 2020, 3:19 p.m.