group-methods {xcms}R Documentation

Group peaks from different samples together

Description

Group peaks together across samples by creating a master peak list and assigning corresponding peaks from all samples. It is inspired by the alignment algorithm of mzMine. For further details check http://mzmine.sourceforge.net/ and

Katajamaa M, Miettinen J, Oresic M: MZmine: Toolbox for processing and visualization of mass spectrometry based molecular profile data. Bioinformatics (Oxford, England) 2006, 22:634?636.

Arguments

object the xcmsSet object
mzVsRTbalance Multiplicator for mz value before calculating the (euclidean) distance between two peaks.
mzCheck Maximum tolerated distance for mz.
rtCheck Maximum tolerated distance for RT.
rtCheck Number of nearest Neighbours to check

Value

An xcmsSet object with peak group assignments and statistics.

Methods

object = "xcmsSet"
group(object, mzVsRTbalance=10, mzCheck=0.2, rtCheck=15, kNN=10)

See Also

xcmsSet-class, group.density and group.mzClust


[Package xcms version 1.16.3 Index]