peaksDataset {flagme} | R Documentation |
Store the raw data and optionally, information regarding signal peaks for a number of GCMS runs
peaksDataset(fns=dir(,"[Cc][Dd][Ff]"),verbose=TRUE,mz=seq(50,550),rtDivide=60,rtrange=NULL)
fns |
character vector, filenames of raw data in CDF format. |
verbose |
logical, if |
mz |
vector giving bins of raw data table. |
rtDivide |
number giving the amount to divide the retention times by. |
rtrange |
retention time range to limit data to (must be |
peaksDataset is a hold-all data structure of the raw and peak detection data.
peaksDataset
object
Mark Robinson
Mark D Robinson (2008). Methods for the analysis of gas chromatography - mass spectrometry data PhD dissertation University of Melbourne.
require(gcspikelite) # paths and files gcmsPath<-paste(find.package("gcspikelite"),"data",sep="/") cdfFiles<-dir(gcmsPath,"CDF",full=TRUE) eluFiles<-dir(gcmsPath,"ELU",full=TRUE) # read data pd<-peaksDataset(cdfFiles[1:2],mz=seq(50,550),rtrange=c(7.5,8.5)) show(pd)