\name{findNeutralLoss} \alias{findNeutralLoss} \title{Find pseudospectra that contains a specific neutral loss} \description{ The method searches in every pseudospectra for a distance between two ions matching a provided mass difference. It returns a xcmsSet object containing the matching peaks. } \usage{ findNeutralLoss(object, mzdiff=NULL, mzabs=0, mzppm=10) } \arguments{ \item{object}{ xsAnnotate object} \item{mzdiff}{ neutral loss in Dalton} \item{mzabs}{ absolut allowed mass difference} \item{mzppm}{ relative allowed mass difference} } \details{ The function needs a xsAnnotate object after groupCorr or groupFWHM. The resulting object is a artificial xcmsSet, where the peaks with the specific neutral loss are stored in xcmsSet@peaks. } \examples{ 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) #Searches for Peaks with water loss xs.pseudo <- findNeutralLoss(an,mzdiff=18.01,mzabs=0.01) xs.pseudo@peaks #show Hits } \author{Carsten Kuhl } \keyword{methods}