problematicPeaks {RMassBank} | R Documentation

## Identify intense peaks (in a list of unmatched peaks)

### Description

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.

### Usage

    problematicPeaks(peaks_unmatched, peaks_matched, mode = "pH")

### Arguments

`peaks_unmatched` | Table of unmatched peaks, with at least `cpdID, scan, mzFound, int`.
`peaks_matched` | Table of matched peaks (used for base peak reference), with at least `cpdID, scan, int`.
`mode` | Processing mode (`"pH", "pNa"` etc.)

### Value

A filtered table with the potentially problematic peaks, including the precursor mass and MSMS base peak intensity (`aMax`) for reference.

### Author(s)

Michael Stravs

### See Also

`msmsWorkflow`

### Examples

    ## 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)

[Package RMassBank version 2.14.1 Index]