\name{specDist-methods} \docType{methods} \alias{specDist-methods} \alias{specDist} \alias{specDist,xcmsSet-method} \title{Distance methods for xcmsSet, xcmsRaw and xsAnnotate} \description{ There are several methods for calculating a distance between two sets of peaks in xcms. \code{specDist} is the generic method. } \section{Methods}{ \describe{ \item{object = "xcmsSet"}{ \code{ specDist(object, peakIDs1, peakIDs2,...) } } } \describe{ \item{object = "xsAnnotate"}{ \code{ specDist(object, PSpec1, PSpec2,...) } } } } \arguments{ \item{object}{a xcmsSet or xcmsRaw.} \item{method}{Method to use for distance calculation. See details.} \item{...}{mzabs, mzppm and parameters for the distance function.} } \details{ Different algorithms can be used by specifying them with the \code{method} argument. For example to use the "meanMZmatch" approach with xcmsSet one would use: \code{specDist(object, peakIDs1, peakIDs2, method="meanMZmatch")}. This is also the default. Further arguments given by \code{...} are passed through to the function implementing the \code{method}. A character vector of \emph{nicknames} for the algorithms available is returned by \code{getOption("BioC")$xcms$specDist.methods}. If the nickname of a method is called "meanMZmatch", the help page for that specific method can be accessed with \code{?specDist.meanMZmatch}. } \value{ \item{mzabs}{ maximum absolute deviation for two matching peaks } \item{mzppm}{ relative deviations in ppm for two matching peaks } \item{symmetric}{ use symmetric pairwise m/z-matches only, or each match } } \author{Joachim Kutzera, \email{jkutzer@ipb-halle.de}} \keyword{methods}