\name{getIsotopeCluster} \alias{getIsotopeCluster} \title{Retrieve the annotatad isotopes} \description{ Extract all annotated isotope cluster. Returns a list with one element per cluster. A element contains the charge of the molecule and a peakmatrix with mz and intensity value. } \usage{ getIsotopeCluster(object, number=NULL, value="maxo") } \arguments{ \item{object}{ xsAnnotate object} \item{number}{ Set to NULL extract all isotope cluster or to specific choosen ones } \item{value}{ Which intensity values should be extracted. Allowed values are: maxo, into, intb} } \details{ This method extract the isotope annotation from a xsAnnotate object. The order of the resulting list is the same as the one in the peaklist, see \code{\link{getPeaklist}}. In the case of a multiple sample the intensity value for a peak is retrieved from the sample, which has been choosen for the pseudospectra in the grouping step. } \examples{ #single sample library(CAMERA) file <- system.file('mzdata/MM14.mzdata', package = "CAMERA") xs <- xcmsSet(file, method="centWave", ppm=30, peakwidth=c(5,10)) an <- xsAnnotate(xs) an <- groupFWHM(an) an <- findIsotopes(an) isolist <- getIsotopeCluster(an) isolist[[10]] #get IsotopeCluster 10 #multiple sample library(faahKO) xs <- group(faahko) xs <- fillPeaks(xs) an <- xsAnnotate(xs) an <- groupFWHM(an) an <- findIsotopes(an) isolist <- getIsotopeCluster(an) ##Interaction with Rdisop \dontrun{ library(Rdisop) isotopes.decomposed <- lapply(isolist,function(x) { decomposeIsotopes(x$peaks[,1],x$peaks[,2],z=x$charge); }) #decomposed isotope cluster, filter steps are recommended } } \author{Carsten Kuhl } \keyword{methods}