group.mzClust {xcms}R Documentation

Group Peaks via High Resolution Alignment

Description

Runs high resolution alignment on the peaks stored in a given xcmsSet.

Usage

groupedobject <- group(object, method="mzClust", mzppm = 20, mzabs = 0, minsamp = 1, minsampclass=0, minfrac=0)

Arguments

object a xcmsSet with peaks
mzppm the relative error used for clustering/grouping in ppm (parts per million)
mzabs the absolute error used for clustering/grouping
minsamp set the minimum number of samples in one bin
minfrac set the minimum fraction of each class in one bin

Value

Returns a xcmsSet with slots groups and groupindex set.

References

Saira A. Kazmi, Samiran Ghosh, Dong-Guk Shin, Dennis W. Hill and David F. Grant
Alignment of high resolution mass spectra: development of a heuristic approach for metabolomics.
Metabolomics, Vol. 2, No. 2, 75-83 (2006)

See Also

xcmsSet-class,

Examples

## load xcms and faahKO Dataset
library(xcms)
library(faahKO)
data(faahko)
## group faahko data
##faahko_grouped <- group(faahko, method="mzClust")
## get groups
##groups <- groups(faahko_grouped)
## get grouped peak indices
##idx <- groupidx(faahko_grouped)

[Package xcms version 1.14.1 Index]