Files in michaelwitting/CompoundDb
Creating and using (Chemical) Compound Annotation Databases
.Rbuildignore
.editorconfig
.gitignore
.travis.yml
DESCRIPTION
NAMESPACE
R/AllGenerics.R
R/AnnotationFilters.R
R/CompDb-methods.R
R/CompDb.R
R/MsBackendCompDb-functions.R
R/MsBackendCompDb.R
R/Spectra-functions.R
R/createCompDbPackage.R
R/mass-utility-functions.R
R/query-engine.R
R/spectrum-import-functions.R
R/utility-functions.R
R/zzz.R
README.md
inst/NEWS
inst/extdata/adducts.txt
inst/json/MoNa-LipidBlast_sub.json
inst/pkg-template/DESCRIPTION
inst/pkg-template/NAMESPACE
inst/pkg-template/R/zzz.R
inst/pkg-template/man/package.Rd
inst/sdf/ChEBI_sub.sdf.gz
inst/sdf/HMDB_sub.sdf.gz
inst/sdf/LipidMaps_sub.sdf.gz
inst/sdf/MoNa_export-All_Spectra_sub.sdf.gz
inst/sdf/PubChem_sub.sdf.gz
inst/xml/HMDB0000001_ms_ms_spectrum_1_experimental.xml
inst/xml/HMDB0000001_ms_ms_spectrum_2_experimental.xml
inst/xml/HMDB0004370_ms_ms_spectrum_446575_experimental.xml
inst/xml/HMDB0006719_ms_ms_spectrum_370739_predicted.xml
inst/xml/fail/HMDB0001875_ms_ms_spectrum_1768_experimental.xml
man/CompDb.Rd
man/Filter-classes.Rd
man/MsBackendCompDb.Rd
man/annotateMz.Rd
man/compound_tbl_lipidblast.Rd
man/compound_tbl_sdf.Rd
man/createCompDb.Rd
man/expandMzIntensity.Rd
man/import_mona_sdf.Rd
man/mass2mz.Rd
man/matchWithPpm.Rd
man/msms_spectra_hmdb.Rd
man/msms_spectra_mona.Rd
tests/testthat.R
tests/testthat/test_AnnotationFilters.R
tests/testthat/test_CompDb-methods.R
tests/testthat/test_CompDb.R
tests/testthat/test_MsBackendCompDb-functions.R
tests/testthat/test_MsBackendCompDb.R
tests/testthat/test_Spectra_functions.R
tests/testthat/test_createCompDbPackage.R
tests/testthat/test_mass-utility-functions.R
tests/testthat/test_query-engine.R
tests/testthat/test_spectrum-import-functions.R
tests/testthat/test_utility-functions.R
vignettes/create-compounddb.Rmd
