CTS.externalIdSubset    Select a subset of external IDs from a CTS
                        record.
CTS.externalIdTypes     Find all available databases for a CTS record
RmbDefaultSettings      RMassBank settings
RmbSettings             RMassBank settings
add.formula             Calculations on molecular formulas
addMB                   MassBank-record Addition
addPeaks                Add additional peaks to spectra
addPeaksManually        Addition of manual peaklists
aggregateSpectra        Aggregate analyzed spectra
analyzeMsMs             Analyze MSMS spectra
annotator.default       Generate peak annotation from peaklist
archiveResults          Backup 'msmsWorkflow' results
cleanElnoise            Remove electronic noise
combineMultiplicities   Combine workspaces for multiplicity filtering
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.
findProgress            Determine processed steps
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
getCtsKey               Convert a single ID to another using CTS.
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
parseMassBank           MassBank-record Parser
plotRecalibration       Plot the recalibration graph.
ppm                     Calculate ppm values
problematicPeaks        Identify intense peaks (in a list of unmatched
                        peaks)
progressBarHook         Standard progress bar hook.
reanalyzeFailpeaks      Reanalyze unmatched peaks
recalibrate             Predefined recalibration functions.
recalibrate.addMS1data
                        Return MS1 peaks to be used for recalibration
smiles2mass             Calculate the mass from a SMILES-String
to.limits.rcdk          Convert formula to Rcdk limits
toMassbank              Write MassBank record into character array
validate                Validate MassBank records with a set of Unit
                        tests
