Files in cbroeckl/RAMClustR
Mass Spectrometry Metabolomics Feature Clustering and Interpretation
.Rbuildignore
.github/workflows/r-conda.yml
.gitignore
CRAN-RELEASE
CRAN-SUBMISSION
ChangeLog
DESCRIPTION
NAMESPACE
R/RCQC.R
R/adap.to.rc.R
R/annotate.R
R/annotation.summary.R
R/assign.z.R
R/calculate.similarity.R
R/change.annotation.R
R/cmpd.summary.R
R/defineExperiment.R
R/do.findmain.R
R/export.msfinder.formulas.R
R/exportDataset.R
R/findfeature.R
R/findmass.R
R/fooddb2msfinder.R
R/get.taxon.cids.R
R/getData.R
R/getSmilesInchi.R
R/impRamSearch.R
R/import.MSFinder.formulas.R
R/import.MSFinder.structures.R
R/import.adap.kdb.R
R/import.msfinder.mssearch.R
R/import.sirius.R
R/manual.annotation.template.R
R/mergeRCobjects.R
R/ramclustR.R
R/rc.calibrate.ri.R
R/rc.cmpd.cv.filter.R
R/rc.cmpd.filter.blanks.R
R/rc.cmpd.get.classyfire.R
R/rc.cmpd.get.pathways.R
R/rc.cmpd.get.pubchem.R
R/rc.cmpd.get.smiles.inchi.R
R/rc.cmpd.replace.na.R
R/rc.expand.sample.names.R
R/rc.export.msp.rc.R
R/rc.feature.cv.filter.R
R/rc.feature.filter.blanks.R
R/rc.feature.filter.cv.R
R/rc.feature.normalize.qc.R
R/rc.feature.normalize.tic.R
R/rc.feature.replace.na.R
R/rc.get.xmcs.data.R
R/rc.qc.R
R/rc.ramclustr.R
R/rc.remove.qc.R
R/rc.restore.qc.samples.R
R/sonar.calibration.R
R/write.methods.R
R/write.msp.R
README.md
conda/environment-dev.yaml
cran-comments.md
inst/extdata/peaks.csv
inst/params/defparamsets.Rdata
inst/params/greek.csv
inst/params/params.csv
inst/params/paramsets.Rdata
inst/references.txt
man/RCQC.Rd
man/adap.to.rc.Rd
man/annotate.Rd
man/annotation.summary.Rd
man/assign.z.Rd
man/change.annotation.Rd
man/cmpd.summary.Rd
man/defineExperiment.Rd
man/do.findmain.Rd
man/export.msfinder.formulas.Rd
man/exportDataset.Rd
man/findfeature.Rd
man/findmass.Rd
man/fooddb2msfinder.Rd
man/getData.Rd
man/getSmilesInchi.Rd
man/impRamSearch.Rd
man/import.adap.kdb.Rd
man/import.msfinder.formulas.Rd
man/import.msfinder.mssearch.Rd
man/import.msfinder.structures.Rd
man/import.sirius.Rd
man/manual.annotation.template.Rd
man/mergeRCobjects.Rd
man/ramclustR.Rd
man/rc.calibrate.ri.Rd
man/rc.cmpd.filter.blanks.Rd
man/rc.cmpd.filter.cv.Rd
man/rc.cmpd.get.classyfire.Rd
man/rc.cmpd.get.pubchem.Rd
man/rc.cmpd.get.smiles.inchi.Rd
man/rc.cmpd.replace.na.Rd
man/rc.expand.sample.names.Rd
man/rc.export.msp.rc.Rd
man/rc.feature.filter.blanks.Rd
man/rc.feature.filter.cv.Rd
man/rc.feature.normalize.qc.Rd
man/rc.feature.normalize.tic.Rd
man/rc.feature.replace.na.Rd
man/rc.get.xcms.data.Rd
man/rc.qc.Rd
man/rc.ramclustr.Rd
man/rc.remove.qc.Rd
man/rc.restore.qc.samples.Rd
man/write.methods.Rd
man/write.msp.Rd
tests/testthat.R
tests/testthat/helper.R
tests/testthat/test.R
tests/testthat/testdata/output.msp
tests/testthat/testdata/peaks.csv
tests/testthat/testdata/ramclustObj.rds
tests/testthat/testdata/test.fillpeaks
vignettes/ExpDes.csv
vignettes/RAMClustR.Rmd
vignettes/spectra/test.mspLib
