group.mzClust {xcms} | R Documentation |
Runs high resolution alignment on the peaks stored in a given xcmsSet.
groupedobject <- group(object, method="mzClust", mzppm = 20, mzabs = 0, minsamp = 1, minsampclass=0, minfrac=0)
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 |
Returns a xcmsSet with slots groups and groupindex set.
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)
## 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)