\name{group.mzClust} \docType{methods} \alias{group.mzClust} \alias{group.mzClust,xcmsSet-method} \title{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{ \item{object}{a xcmsSet with peaks } \item{mzppm}{the relative error used for clustering/grouping in ppm (parts per million)} \item{mzabs}{the absolute error used for clustering/grouping} \item{minsamp}{set the minimum number of samples in one bin} \item{minfrac}{set the minimum fraction of each class in one bin} } \value{ Returns a xcmsSet with slots groups and groupindex set. } \seealso{ \code{\link{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) } \references{ Saira A. Kazmi, Samiran Ghosh, Dong-Guk Shin, Dennis W. Hill and David F. Grant\cr \emph{Alignment of high resolution mass spectra: development of a heuristic approach for metabolomics}.\cr Metabolomics, Vol. 2, No. 2, 75-83 (2006) } \keyword{methods} \keyword{file}