group-methods {xcms} | R Documentation |
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.
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 |
An xcmsSet
object with peak group assignments and statistics.
group(object, mzVsRTbalance=10, mzCheck=0.2, rtCheck=15, kNN=10)
xcmsSet-class
,
group.density
and
group.mzClust