aggregate               aggregate peakgroup for align function
alignSamples            Alignment between samples
annotateVOC             Putative annotation of VOC mz by using the
                        reference compilation from the literature
calibration             Calibrates the mass axis with references masses
changeTimeLimits        Shinny appplication to modify and view
                        expiration limits This function run a shiny
                        app, where you can check the automatic
                        expiration detection, knots location, and
                        modify it.
convert_to_mzML         Convert a h5 file to mzML
createPtrSet            Creates a ptrSet object form a directory
defineKnots             Define the knots location
detectPeak              Detection and quantification of peaks for a
                        ptrSet object.
exportSampleMetada      export sampleMetadata
formula2mass            Compute exact mass.
getDirectory            get the files directory of a ptrSet
getFileNames            get the file names containing in the directory
                        of a ptrSet or ptrRaw
getPeakList             get the peak list of a ptrSet object
getSampleMetadata       get sampleMetadata of a ptrSet
importSampleMetadata    import a sampleMetadata from a tsv file to a
                        ptrSet object
impute                  Imputes the missing values
imputeMat               Impute missing values on an matrix set from an
                        ptrSet
LocalMaximaSG           Find local maxima with Savitzky Golay filter
PeakList                Detection and quantification of peaks on a sum
                        spectrum.
plot,ptrSet,ANY-method
                        Plot a ptrSet object
plotCalib               Plot the calibration peaks after calibration
plotFeatures            Plot raw average spectrum around a mzRange
plotRaw                 Plot method for 'ptrRaw' objects
plotTIC                 plot the Total Ion sptectrum (TIC) for one or
                        several files.
ptrRaw-class            PTR-TOF-MS raw data from a rhdf5 file
ptrSet-class            A set of PTR-TOF-MS raw data informations
readRaw                 Read a h5 file of PTR-TOF-MS data
resetSampleMetadata     reset the default sampleMetadata, containing
                        the suborders names and the acquisition dates
                        as columns.
rmPeakList              remove the peakList of an ptrSet object
RunShinnyApp            Graphical interface of ptairMS workflow
setSampleMetadata       set sampleMetadata in a ptrSet
show,ptrRaw-method      show a ptrRaw object
show,ptrSet-method      show a ptrSet object
timeLimits              Calculates time limits on the breath tracer
updatePtrSet            update a ptrSet object
writeEset               Exporting an ExpressionSet instance into 3
                        tabulated files 'dataMatrix.tsv',
                        sampleMetadata.tsv', and 'variableMetadata.tsv'
