RmbDefaultSettings      RMassBank settings
RmbSettings             RMassBank settings
add.formula             Calculations on molecular formulas
addPeaks                Add additional peaks to spectra
aggregateSpectra        Aggregate analyzed spectra
analyzeMsMs             Analyze MSMS spectra
archiveResults          Backup 'msmsWorkflow' results
cleanElnoise            Remove electronic noise
compileRecord           Compile MassBank records
createMolfile           Create MOL file for a chemical structure
dbe                     Calculate Double Bond Equivalents
deprofile               De-profile a high-resolution MS scan in profile
                        mode.
exportMassbank          Export internally stored MassBank data to files
filterLowaccResults     Filter peaks with low accuracy
filterMultiplicity      filterMultiplicity
filterPeakSatellites    Filter satellite peaks
filterPeaksMultiplicity
                        Multiplicity filtering: Removes peaks which
                        occur only once in a n-spectra set.
findEIC                 Extract EICs
findMass                Calculate exact mass
findMsMsHR              Extract MS/MS spectra for specified precursor
findMz                  Find compound information
findMz.formula          Find the exact mass +/- a given margin for a
                        given formula or its ions and adducts.
flatten                 Flatten, or re-read, MassBank header blocks
formulastring.to.list   Interconvert molecular formula representations
gatherCompound          Compose data block of MassBank record
gatherData              Retrieve annotation data
getCactus               Retrieve information from Cactus
getCtsRecord            Retrieve information from CTS
getMolecule             Create Rcdk molecule from SMILES
getPcId                 Search Pubchem CID
is.valid.formula        Check validity of formula
loadInfolists           Load MassBank compound information lists
loadList                Load compound list for RMassBank
makeMollist             Write list.tsv file
makeRecalibration       Recalibrate MS/MS spectra
mbWorkflow              MassBank record creation workflow
mbWorkspace-class       Workspace for 'mbWorkflow' data
msmsWorkflow            RMassBank mass spectrometry pipeline
msmsWorkspace-class     Workspace for 'msmsWorkflow' data
newMbWorkspace          Create new workspace for 'mbWorkflow'
newMsmsWorkspace        Create new empty workspace or load saved data
                        for 'msmsWorkflow'
order.formula           Order a chemical formula correctly
ppm                     Calculate ppm values
problematicPeaks        Identify intense peaks (in a list of unmatched
                        peaks)
reanalyzeFailpeaks      Reanalyze unmatched peaks
recalibrate             Predefined recalibration functions.
recalibrate.addMS1data
                        Return MS1 peaks to be used for recalibration
to.limits.rcdk          Convert formula to Rcdk limits
toMassbank              Write MassBank record into character array
