Man pages for CluMSID
Clustering of MS2 Spectra for Metabolite Identification

accessorsAccessor functions for individual slots of 'MS2spectrum' and...
addAnnotationsAdding external annotations to list of 'MS2spectrum' objects
as.MS2spectrumConvert spectra from 'MSnbase' classes
cossimCalculate cosine similarity between two spectra
distanceMatrixCreate distance matrix from list of spectra
extractMS2spectraExtract MS2 spectra from raw data files
extractPseudospectraExtract pseudospectra
FeaturelistGenerate a 'data.frame' with feature information from list of...
findFragmentFind spectra that contain a specific fragment
findNLFind spectra that contain a specific neutral loss
getSimilaritiesMatch one spectrum against a set of spectra
getSpectrumAccess individual spectra from a list of spectra by various...
HCplotGenerate cluster dendrogram or heatmap from spectral...
HCtblHierarchical clustering of spectral similarity data
MDSplotMultidimensional scaling of spectral similarity data
mergeMS2spectraMerge MS2 spectra with or without external peak table
mergeSpecListMerge list of spectra
mergeToleranceMerge spectra with m/z tolerance
MS2spectrum-classA custom S4 class for MS2 spectra, neutral loss patterns and...
networkplotCorrelation network from spectral similarity data
neutrallossPatternsGenerate neutral loss patterns from MS2 spectra
OPTICSplotVisualisation of density-based clustering of spectral...
OPTICStblDensity-based clustering of spectral similarity data
pseudospectrum-classA custom S4 class for MS1 pseudospectra and respective...
specplotCreate a basic plot of MS2 spectra
splitPolaritiesSeparate spectra with different polarities from the same run
writeFeaturelistWrite feature information from list of 'MS2spectrum' objects
CluMSID documentation built on Nov. 8, 2020, 7:46 p.m.