Files in WMBEdmands/compMS2Miner

an automatable metabolite identification, visualization and data-sharing R package for high-resolution LC-MS datasets

R/00compMS2-class.R R/HMDB.R R/LMSD.R R/MS1MatchSpectra.R R/MS2fileInfo.R R/PMIDsearch.R R/ReSpect.R R/Substructure_masses.R R/T3DB.R R/addNoMS2.R R/adduct2mass.R R/annoCompoundClass.R R/cfmFragGraphGen.R R/cleanAbs.R R/combineMS2.Ions.R R/combineMS2.R R/combineMS2.Spectra.R R/combineMS2.removeContam.R R/compMS2Construct.R R/compMS2Create.R R/compMS2Miner.R R/compMS2explorer.R R/couchDBcurate.R R/couchDBpingReq.R R/deconvNoise.DNF.R R/deconvNoise.R R/deconvNoise.maxInt.R R/dotProdMatrix.R R/drugBank.R R/dynamicNoiseFilter.R R/exactMassEle.R R/example_mzXML_MS1features.R R/falsePosIdentify.R R/getAbs.R R/getLoginDetails.R R/getTitles.R R/lipidAbbrev.R R/metFragAdducts.R R/metFragCl.R R/metID.CFM.R R/metID.R R/metID.buildConsensus.R R/metID.chemSim.R R/metID.compMS2ToMsp.R R/metID.corrNetwork.R R/metID.dbAnnotate.R R/metID.dbProb.R R/metID.matchSpectralDB.R R/metID.metFrag.R R/metID.optimConsensus.R R/metID.predSMILES.R R/metID.rtPred.R R/metID.specSimNetwork.R R/mfSearchPUG.R R/monoMassMatch.R R/optimCutOff.R R/pubMedSearch.R R/publishApp.R R/runGitHubApp.R R/signalGrouping.R R/smiles2Form.R R/smiles2MonoMassForm.R R/subFormulae.R R/subStructure.Annotate.R R/subStructure.R R/subStructure.prob.R R/subStructure.probSummary.R R/subsetCompMS2.R R/trueFalseSum.R README.md inst/doc/compMS2Miner_Workflow.pdf inst/rmarkdown/templates/compMS2Template/skeleton/skeleton.Rmd inst/shiny-apps/compMS2Explorer/global.R inst/shiny-apps/compMS2Explorer/server.R inst/shiny-apps/compMS2Explorer/ui.R man/HMDB.Rd man/LMSD.Rd man/MS1MatchSpectra.Rd man/MS2fileInfo.Rd man/PMIDsearch.Rd man/ReSpect.Rd man/Substructure_masses.Rd man/T3DB.Rd man/addNoMS2.Rd man/adduct2mass.Rd man/annoCompoundClass.Rd man/cfmFragGraphGen.Rd man/cleanAbs.Rd man/combineMS2.Ions.Rd man/combineMS2.Rd man/combineMS2.Spectra.Rd man/combineMS2.removeContam.Rd man/compMS2-class.Rd man/compMS2Construct.Rd man/compMS2Create.Rd man/compMS2Explorer.Rd man/compMS2Miner.Rd man/couchDBcurate.Rd man/couchDBpingReq.Rd man/deconvNoise.DNF.Rd man/deconvNoise.Rd man/dotProdMatrix.Rd man/drugBank.Rd man/dynamicNoiseFilter.Rd man/exactMassEle.Rd man/example_mzXML_MS1features.Rd man/falsePosIdentify.Rd man/form2Mat.Rd man/formulaFilter.Rd man/getAbs.Rd man/getLoginDetails.Rd man/getTitles.Rd man/lipidAbbrev.Rd man/metFragAdducts.Rd man/metFragCl.Rd man/metID.CFM.Rd man/metID.Rd man/metID.buildConsensus.Rd man/metID.chemSim.Rd man/metID.compMS2toMsp.Rd man/metID.corrNetwork.Rd man/metID.dbAnnotate.Rd man/metID.dbProb.Rd man/metID.matchSpectralDB.Rd man/metID.metFrag.Rd man/metID.optimConsensus.Rd man/metID.predSMILES.Rd man/metID.rtPred.Rd man/metID.specSimNetwork.Rd man/mfSearchPUG.Rd man/monoMassMatch.Rd man/optimCutOff.Rd man/pubMedSearch.Rd man/publishApp.Rd man/runGitHubApp.Rd man/signalGrouping.Rd man/smiles2Form.Rd man/smiles2MonoMassForm.Rd man/subFormulae.Rd man/subStructure.Annotate.Rd man/subStructure.Rd man/subStructure.prob.Rd man/subStructure.probSummary.Rd man/subsetCompMS2.Rd man/trueFalseSum.Rd vignettes/compMS2Miner_Workflow.R vignettes/compMS2Miner_Workflow.Rmd vignettes/compMS2Miner_Workflow.pdf