Files in schymane/ReSOLUTION
SOLUTIONS for High ReSOLUTION Mass Spectrometry
.gitattributes
.gitignore
DESCRIPTION
NAMESPACE
NEWS
R/EICandMSMS.R
R/MS1_functions.R
R/MassBankRecordeR.R
R/MetFragConfigR.R
R/MetFragInterpreteR.R
R/RMB_EIC_prescreen.R
R/SuspectScreening.R
R/nontargetWrap.R
R/plotMSMS.R
R/processSDF.R
README.md
ReSOLUTION.Rproj
inst/extdata/Blind_nano_IS_toPeak750.txt
inst/extdata/CompToxBatchSearch_MetFrag_MSready_C10H14N2.sdf
inst/extdata/CompToxBatchSearch_MetFrag_MSready_C10H14N2.xls
inst/extdata/CompToxBatchSearch_MetFrag_MSready_C10H14N2_wSelectMetaData.csv
inst/extdata/EA000405.txt
inst/extdata/EA000405_peaks.txt
inst/extdata/EA000407_peaks.txt
inst/extdata/EA020161_Diclofenac.txt
inst/extdata/EA020161_Diclofenac_peaks.txt
inst/extdata/EA026206_Simazine.txt
inst/extdata/EA026206_Simazine_peaks.txt
inst/extdata/EQ300804_Nicotine.txt
inst/extdata/EQ300804_Nicotine_peaks.txt
inst/extdata/Eawag_rt_inchi.csv
inst/extdata/MetFrag_AdductTypes.csv
inst/extdata/dsstox_MS_Ready_MetFragTestCSV5.csv
inst/extdata/recdata/SM800003.txt
inst/extdata/recdata/SM800201.txt
inst/extdata/recdata/SM800553.txt
inst/extdata/recdata/SM800653.txt
inst/extdata/recdata/SM800802.txt
inst/extdata/recdata/SM800901.txt
inst/extdata/recdata/SM801001.txt
inst/extdata/temp_peaklist.txt
inst/extdata/test.txt
man/CompToxCSVtoLocalCSVterms.Rd
man/CompToxFullCSVtoLocalCSVterms.Rd
man/CompToxSDFtoLocalSDFterms.Rd
man/CompToxXLStoLocalCSVterms.Rd
man/ExplFormulas2AnnoMZ.Rd
man/ExplPeaks2MSMS.Rd
man/IDfromFilePath.Rd
man/MBFileToVector.Rd
man/MetFragConfig.CompToxCSV.Rd
man/MetFragConfig.CompToxExportSDF.Rd
man/MetFragConfig.Rd
man/MetFragConfig.formula.Rd
man/RMB_EIC_prescreen.Rd
man/SpecComp.OrgMassSpecR.Rd
man/addMissingInChIKeys.CSV.Rd
man/addMsMs.Rd
man/addMsMs.oldRMB.Rd
man/addStructToPlot.Rd
man/chemistry2expression.Rd
man/extractMS1.RMBarchive.Rd
man/extractMS1and2.RMBarchive.Rd
man/fixMzIntColNames.Rd
man/getMBPeaksAnnos.Rd
man/getMBRecordEntry.Rd
man/getMBRecordInfo.MetFragConfig.Rd
man/getMBRecordInfo.Rd
man/getMBRecordPeakAnnotations.Rd
man/getMBRecordPeaks.Rd
man/nontargetWrap.Rd
man/plotAdductEICs.Rd
man/plotAnnoSpectrum.Rd
man/plotEICs.Rd
man/plotMS.Rd
man/plotSpectra.Rd
man/plotSpectrum.Rd
man/process.sdf.file.Rd
man/runMetFrag.Rd
man/screen.homol.Rd
man/screenSuspects.Rd
man/trimAnnotation.Rd
