\name{findIsotopes-methods} \docType{methods} \alias{findIsotopes} \alias{findIsotopes,xsAnnotate-method} \title{Deconvolute/Annotate LC/ESI-MS data} \description{ Annotate isotope peaks for a xsAnnotate object. Returns a xsAnnotate object with annotated isotopes. } \section{Methods}{ \describe{ \item{object = "xsAnnotate"}{ \code{findIsotopes(object, maxcharge=3, maxiso=3, ppm=5, mzabs=0.01)} } }} \arguments{ \item{object}{the \code{xsAnnotate} object} \item{maxcharge}{max. number of the isotope charge} \item{maxiso}{max. number of the isotope peaks} \item{ppm}{ppm error for the search} \item{mzabs}{allowed variance for the search} } \details{ Isotope peaks are annotated for a xsAnnotate object according to given rules (maxcharge, maxiso). The algorithm benefits from a earlier grouping of the data, with groupFWHM. Generates a list of all possible isotopes, which is stored in object@isotopes. Those isotope information will be used in the groupCorr funtion. } \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) an <- findIsotopes(an) } \author{Carsten Kuhl } \keyword{methods}