Files in synbiochem/iTERP
Terpenoids screening in GC-MS data
.Rbuildignore
.gitignore
DESCRIPTION
NAMESPACE
R/NIST2Targets2_2.R
R/exploreTargets.R
R/getResults.R
R/integrateTICs.R
R/integrateTargets.R
R/integrateTargets1.R
R/locateTargets2.R
R/plotEICs.R
R/plotMSLibraryTargets.R
R/plotTICs.R
R/runAll.R
README.md
Standards/(-)-cis-Isopiperitenol.MSP
Standards/(-)-trans-Isopiperitenol.MSP
Standards/1,8-cineol_qtof.MSP
Standards/3-carene_qtof.MSP
Standards/4-Vinylguaiacol_TOF.MSP
Standards/4-Vinylphenol_tof.MSP
Standards/alpha_pinene_qtof.MSP
Standards/beta_pinene_qtof.MSP
Standards/butadiene_tof.MSP
Standards/camphene_qtof.MSP
Standards/carvone.MSP
Standards/cis-carveol.MSP
Standards/dihydrocarvone.MSP
Standards/fenchol.MSP
Standards/fenchol_qtof.MSP
Standards/gamma_terpinene_qtof.MSP
Standards/geraniol.MSP
Standards/geraniol_qtof.MSP
Standards/geranylacetate.MSP
Standards/granyl_acetate_qtof.MSP
Standards/isobutanal_qtof.MSP
Standards/isobutanol_qTOF.MSP
Standards/isobutene_qTOF.MSP
Standards/isomenthol.MSP
Standards/isomenthol_qtof.MSP
Standards/isomenthone.MSP
Standards/isomenthone_qtof.MSP
Standards/isopiperitone.MSP
Standards/isopulegone.MSP
Standards/isopulegone_qtof.MSP
Standards/limonene.MSP
Standards/limonene_qtof.MSP
Standards/linalool.MSP
Standards/linalool_qtof.MSP
Standards/linaloylacetate.MSP
Standards/linalylacetate.MSP
Standards/menthol.MSP
Standards/menthol_qtof.MSP
Standards/menthone.MSP
Standards/menthone_qtof.MSP
Standards/methylbutanal_qtof.MSP
Standards/methylbutanol_qTOF.MSP
Standards/methylbutene.MSP
Standards/myrcene_qtof.MSP
Standards/neoisomenthol.MSP
Standards/neoisomenthol_qtof.MSP
Standards/neomenthol.MSP
Standards/neomenthol_qtof.MSP
Standards/o-cimene.MSP
Standards/o-cimene_qtof.MSP
Standards/pentadiene_tof.MSP
Standards/perillaalcohol.MSP
Standards/pulegone.MSP
Standards/pulegone_qtof.MSP
Standards/sabinene.MSP
Standards/sabinene_qtof.MSP
Standards/sec-butylbenzene.MSP
Standards/sec-butylbenzene_qtof.MSP
Standards/styrene_tof.MSP
Standards/terpineol_qtof.MSP
Standards/terpinolene_qtfo.MSP
Standards/trans-carveol.MSP
Standards/trans-isopiperitenol.MSP
Standards/trans-piperitol.MSP
iTERP.Rproj
iTERPSet_new_targets.RData
kat_script.R
main_script.R
man/exploreTargets.Rd
man/getResults.Rd
man/iTERP-class.Rd
man/integrateTIC.Rd
man/integrateTargets.Rd
man/integrateTargets1.Rd
man/locateTargets.Rd
man/plotEICs.Rd
man/plotMSLibraryTargets.Rd
man/plotTICs.Rd
man/runAll.Rd
mzXML/181207_Butadiene_100000mgL_01.mzXML
mzXML/181207_Pentadiene_100000mgL_01.mzXML
mzXML/181207_ST_100000mgL_01.mzXML
mzXML/181207_VG_100000mgL_01.mzXML
mzXML/181207_VP_100000mgL_01.mzXML
vignettes/iTERP.Rmd
