Files in CluMSID

Clustering of MS2 Spectra for Metabolite Identification

README.md R/extract_merge.R R/accessory_functions.R R/pseudospectra.R R/distancematrix_mds.R R/accessors.R R/hierarchical_clustering.R R/annotate.R R/classes_methods.R R/optics.R R/network.R vignettes/CluMSID_MTBLS.Rmd vignettes/CluMSID_lowres-LC-MSMS.Rmd vignettes/CluMSID_GC-EI-MS.Rmd vignettes/CluMSID_DI-MSMS.Rmd vignettes/CluMSID_tutorial.Rmd man/OPTICSplot.Rd man/addAnnotations.Rd man/MDSplot.Rd man/OPTICStbl.Rd man/getSpectrum.Rd man/HCplot.Rd man/extractMS2spectra.Rd man/findFragment.Rd man/neutrallossPatterns.Rd man/distanceMatrix.Rd man/mergeTolerance.Rd man/HCtbl.Rd man/cossim.Rd man/mergeMS2spectra.Rd man/accessors.Rd man/specplot.Rd man/splitPolarities.Rd man/networkplot.Rd man/mergeSpecList.Rd man/pseudospectrum-class.Rd man/as.MS2spectrum.Rd man/MS2spectrum-class.Rd man/writeFeaturelist.Rd man/findNL.Rd man/extractPseudospectra.Rd man/getSimilarities.Rd man/Featurelist.Rd tests/testthat.R tests/testthat/testthat_cossim.R tests/testthat/testthat_accessors.R tests/testthat/testthat_getSpectrum.R inst/doc/CluMSID_MTBLS.R inst/doc/CluMSID_lowres-LC-MSMS.R inst/doc/CluMSID_DI-MSMS.R inst/doc/CluMSID_MTBLS.Rmd inst/doc/CluMSID_tutorial.R inst/doc/CluMSID_lowres-LC-MSMS.Rmd inst/doc/CluMSID_GC-EI-MS.Rmd inst/doc/CluMSID_DI-MSMS.Rmd inst/doc/CluMSID_tutorial.Rmd inst/doc/CluMSID_GC-EI-MS.R