\name{xcmsFragments-class} \docType{class} \alias{xcmsFragments-class} \alias{plotTree} \alias{plotTree,xcmsFragments-method} \alias{show,xcmsFragments-method} \title{Class xcmsFragments, a class for handling Tandem MS and MS$^n$ data} \description{ This class is similar to \code{\link{xcmsSet}} because it stores peaks from a number of individual files. However, xcmsFragments keeps Tandem MS and e.g. Ion Trap or Orbitrap MS$^n$ peaks, including the parent ion relationships. } \section{Objects from the Class}{ Objects can be created with the \code{\link{xcmsFragments}} constructor and filled with peaks using the collect method. } \section{Slots}{ \describe{ \item{\code{peaks}:}{ matrix with colmns peakID (MS1 parent in corresponding xcmsSet), MSnParentPeakID (parent peak within this xcmsFragments), msLevel (e.g. 2 for Tandem MS), rt (retention time in case of LC data), mz (fragment mass-to-charge), intensity (peak intensity as reported by XXX), sample (The ID of the rawData-file). } } } \section{Methods}{ \describe{ \item{\link{collect}}{ \code{signature(object = "xcmsFragments")}: gets a xcmsSet-object, collects ms1-peaks from it and the msn-peaks from the corresponding xcmsRaw-files. } \item{plotTree}{ \code{signature(object = "xcmsFragments")}: prints a (text based) pseudo-tree of the peaktable to display the dependencies of the peaks among each other. } \item{\link{show}}{ \code{signature(object = "xcmsFragments")}: print a human-readable description of this object to the console. } } } \references{ A parallel effort in metabolite profiling data sharing: \url{http://metlin.scripps.edu/} } \author{S. Neumann, J. Kutzera} \note{ No notes yet. } \seealso{ \code{\link{xcmsRaw}} } \keyword{classes}