groupChromPeaks | R Documentation |
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:
peak grouping based on time dimension peak densities.
See groupChromPeaks-density
for more details.
high resolution peak grouping for single spectra (direct
infusion) MS data. See groupChromPeaks-mzClust
for more
details.
chromatographic peak grouping based on their proximity in
the mz-rt space. See groupChromPeaks-nearest
for more
details.
Johannes Rainer
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
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