chromatographic-peak-detection {xcms} | R Documentation

## Chromatographic peak detection methods.

### Description

The `findChromPeaks` methods perform the chromatographic peak detection on LC/GC-MS data and are part of the modernized `xcms` user interface.

The implemented peak detection methods in chromatographic space are:

centWave

  chromatographic peak detection using the centWave method. See `centWave` for more details.

centWave with predicted isotopes

  peak detection using a two-step centWave-based approach considering also feature isotopes. See `centWaveWithPredIsoROIs` for more details.

matchedFilter

  peak detection in chromatographic space. See `matchedFilter` for more details.

massifquant

  peak detection using the Kalman filter-based method. See `massifquant` for more details.

MSW

  single-spectrum non-chromatography MS data peak detection. See `MSW` for more details.

### Author(s)

Johannes Rainer

### See Also

`findPeaks` for the old peak detection methods.

`plotChromPeaks` to plot identified chromatographic peaks for one file.

`highlightChromPeaks` to highlight identified chromatographic peaks in an extracted ion chromatogram plot.

`refineChromPeaks` for methods to refine or clean identified chromatographic peaks.

`manualChromPeaks` to manually add/define chromatographic peaks.

Other peak detection methods: `findChromPeaks-centWaveWithPredIsoROIs`, `findChromPeaks-centWave`, `findChromPeaks-massifquant`, `findChromPeaks-matchedFilter`, `findPeaks-MSW`

[Package xcms version 3.16.1 Index]