groupChromPeaks {xcms} | R Documentation

## Correspondence: Chromatographic peak grouping methods.

### Description

The `groupChromPeaks` method(s) perform the correspondence, i.e. the grouping of chromatographic peaks within and between samples. These methods are part of the modernized `xcms` user interface. The resulting peak groups are referred to as (mz-rt) features and can be accessed via the `featureDefinitions` method on the result object.

The implemented peak grouping methods are:

density

  peak grouping based on time dimension peak densities. See `groupChromPeaks-density` for more details.

mzClust

  high resolution peak grouping for single spectra (direct infusion) MS data. See `groupChromPeaks-mzClust` for more details.

nearest

  chromatographic peak grouping based on their proximity in the mz-rt space. See `groupChromPeaks-nearest` for more details.

### Author(s)

Johannes Rainer

### See Also

`featureDefinitions` and `featureValues,XCMSnExp-method` for methods to access peak grouping results.

`featureChromatograms` to extract ion chromatograms for each feature.

`group` for the old peak grouping methods.

Other peak grouping methods: `groupChromPeaks-density`, `groupChromPeaks-mzClust`, `groupChromPeaks-nearest`

[Package xcms version 3.16.1 Index]