problematicPeaks {RMassBank} | R Documentation |
Finds a list of peaks in spectra with a high relative intensity (>10 1e4, or >1 checked. Peaks orbiting around the parent peak mass (calculated from the compound ID), which are very likely co-isolated substances, are ignored.
problematicPeaks(peaks_unmatched, peaks_matched, mode = "pH")
peaks_unmatched |
Table of unmatched peaks, with at least |
peaks_matched |
Table of matched peaks (used for base peak reference),
with at least |
mode |
Processing mode ( |
A filtered table with the potentially problematic peaks, including
the precursor mass and MSMS base peak intensity (aMax
) for reference.
Michael Stravs
## Not run: # As used in the workflow: fp <- problematicPeaks(specs[!specs$filterOK & !specs$noise & ((specs$dppm == specs$dppmBest) | (is.na(specs$dppmBest))) ,,drop=FALSE], peaksMatched(w), mode) ## End(Not run)