Files in tidymass/metid
Metabolite identification based on MS1 and MS2 spectra

.DS_Store
.Rbuildignore
.gitignore
DESCRIPTION
LICENSE
LICENSE.md
NAMESPACE
NEWS.md R/101_deprecated_functions.R R/103_deprecated_metIdentifyClass-methods.R R/10_filter_databaseClass.R R/11_rtCorrection.R R/12_annotate_metabolites_mass_dataset.R R/13_metIdentify_mass_dataset.R R/14_tools4metaboliteIdentification.R R/15_annotate_single_peak_mass_dataset.R R/16_identify_ms2_only.R R/17_ms2_plot4mass_dataset.R R/18_mzIdentify_mass_dataset.R R/19_output_for_other_database.R R/1_metid_logo.R R/20_read_write_functions.R R/2_attach.R R/3_conflicts.R R/4_utils.R R/50_annotate_metabolites_functions.R R/51_annotate_peaks_mz_rt_ms2.R R/52_check_parameters_functions.R R/53_ms2_spectra_matching_scores.R R/5_global_variables.R R/6_zzz.R R/7_data.R R/8_databaseClass-methods.R R/9_construct_database.R README.md
_pkgdown.yml
data/.DS_Store
data/hilic.pos.rda
data/hilic_neg.rda
data/msDatabase_hilic0.0.2.rda
data/msDatabase_rplc0.0.2.rda
data/orbitrap_database0.0.3.rda
data/rp.neg.rda
data/rp.pos.rda
data/snyder_database_hilic0.0.3.rda
data/snyder_database_rplc0.0.3.rda
docs/404.html
docs/LICENSE-text.html
docs/LICENSE.html
docs/apple-touch-icon-120x120.png
docs/apple-touch-icon-152x152.png
docs/apple-touch-icon-180x180.png
docs/apple-touch-icon-60x60.png
docs/apple-touch-icon-76x76.png
docs/apple-touch-icon.png
docs/articles/Version0_9_2.html
docs/articles/Version0_9_2_files/header-attrs-2.9/header-attrs.js
docs/articles/annotate_single_peak_mass_dataset.Rmd.html
docs/articles/annotate_single_peak_mass_dataset.Rmd_files/header-attrs-2.9/header-attrs.js
docs/articles/annotate_single_peak_mass_dataset.html
docs/articles/annotate_single_peak_mass_dataset_files/header-attrs-2.9/header-attrs.js
docs/articles/contact_us.html
docs/articles/contact_us_files/Proj4Leaflet-1.0.1/proj4leaflet.js
docs/articles/contact_us_files/header-attrs-2.9/header-attrs.js
docs/articles/contact_us_files/htmlwidgets-1.5.3/htmlwidgets.js
docs/articles/contact_us_files/htmlwidgets-1.5.4/htmlwidgets.js
docs/articles/contact_us_files/jquery-1.12.4/jquery.min.js
docs/articles/contact_us_files/leaflet-1.3.1/images/layers-2x.png
docs/articles/contact_us_files/leaflet-1.3.1/images/layers.png
docs/articles/contact_us_files/leaflet-1.3.1/images/marker-icon-2x.png
docs/articles/contact_us_files/leaflet-1.3.1/images/marker-icon.png
docs/articles/contact_us_files/leaflet-1.3.1/images/marker-shadow.png
docs/articles/contact_us_files/leaflet-1.3.1/leaflet.css
docs/articles/contact_us_files/leaflet-1.3.1/leaflet.js
docs/articles/contact_us_files/leaflet-binding-2.0.4.1/leaflet.js
docs/articles/contact_us_files/leaflet-binding-2.1.0/leaflet.js
docs/articles/contact_us_files/leaflet-binding-2.1.1/leaflet.js
docs/articles/contact_us_files/leafletfix-1.0.0/leafletfix.css
docs/articles/contact_us_files/proj4-2.6.2/proj4.min.js
docs/articles/contact_us_files/rstudio_leaflet-1.3.1/images/1px.png
docs/articles/contact_us_files/rstudio_leaflet-1.3.1/rstudio_leaflet.css
docs/articles/database_construction.html
docs/articles/database_construction_files/header-attrs-2.9/header-attrs.js
docs/articles/identify_single_peak.html
docs/articles/identify_single_peak_files/header-attrs-2.9/header-attrs.js
docs/articles/index.html
docs/articles/install.html
docs/articles/metabolite_annotation_using_MS1.html
docs/articles/metabolite_annotation_using_MS1_files/header-attrs-2.9/header-attrs.js
docs/articles/metabolite_annotation_using_MS2.html
docs/articles/metabolite_annotation_using_MS2_files/crosstalk-1.1.1/css/crosstalk.css
docs/articles/metabolite_annotation_using_MS2_files/crosstalk-1.1.1/js/crosstalk.js
docs/articles/metabolite_annotation_using_MS2_files/crosstalk-1.1.1/js/crosstalk.js.map
docs/articles/metabolite_annotation_using_MS2_files/crosstalk-1.1.1/js/crosstalk.min.js
docs/articles/metabolite_annotation_using_MS2_files/crosstalk-1.1.1/js/crosstalk.min.js.map
docs/articles/metabolite_annotation_using_MS2_files/crosstalk-1.2.0/css/crosstalk.min.css
docs/articles/metabolite_annotation_using_MS2_files/crosstalk-1.2.0/js/crosstalk.js
docs/articles/metabolite_annotation_using_MS2_files/crosstalk-1.2.0/js/crosstalk.js.map
docs/articles/metabolite_annotation_using_MS2_files/crosstalk-1.2.0/js/crosstalk.min.js
docs/articles/metabolite_annotation_using_MS2_files/crosstalk-1.2.0/js/crosstalk.min.js.map
docs/articles/metabolite_annotation_using_MS2_files/crosstalk-1.2.0/scss/crosstalk.scss
docs/articles/metabolite_annotation_using_MS2_files/figure-html/unnamed-chunk-10-1.png
docs/articles/metabolite_annotation_using_MS2_files/figure-html/unnamed-chunk-8-1.png
docs/articles/metabolite_annotation_using_MS2_files/header-attrs-2.9/header-attrs.js
docs/articles/metabolite_annotation_using_MS2_files/htmlwidgets-1.5.3/htmlwidgets.js
docs/articles/metabolite_annotation_using_MS2_files/htmlwidgets-1.5.4/htmlwidgets.js
docs/articles/metabolite_annotation_using_MS2_files/jquery-3.5.1/jquery-AUTHORS.txt
docs/articles/metabolite_annotation_using_MS2_files/jquery-3.5.1/jquery.js
docs/articles/metabolite_annotation_using_MS2_files/jquery-3.5.1/jquery.min.js
docs/articles/metabolite_annotation_using_MS2_files/jquery-3.5.1/jquery.min.map
docs/articles/metabolite_annotation_using_MS2_files/plotly-binding-4.10.0/plotly.js
docs/articles/metabolite_annotation_using_MS2_files/plotly-binding-4.9.4.1/plotly.js
docs/articles/metabolite_annotation_using_MS2_files/plotly-htmlwidgets-css-1.57.1/plotly-htmlwidgets.css
docs/articles/metabolite_annotation_using_MS2_files/plotly-htmlwidgets-css-2.5.1/plotly-htmlwidgets.css
docs/articles/metabolite_annotation_using_MS2_files/plotly-main-1.57.1/plotly-latest.min.js
docs/articles/metabolite_annotation_using_MS2_files/plotly-main-2.5.1/plotly-latest.min.js
docs/articles/metabolite_annotation_using_MS2_files/typedarray-0.1/typedarray.min.js
docs/articles/metid.html
docs/articles/metid_files/header-attrs-2.9/header-attrs.js
docs/articles/metid_introduction.html
docs/articles/metid_introduction_files/header-attrs-2.9/header-attrs.js
docs/articles/ms2_plot_mass_dataset.html
docs/articles/ms2_plot_mass_dataset_files/figure-html/unnamed-chunk-6-1.png
docs/articles/ms2_plot_mass_dataset_files/header-attrs-2.9/header-attrs.js
docs/articles/multiple_databases.html
docs/articles/multiple_databases_files/header-attrs-2.9/header-attrs.js
docs/articles/other_tools.html
docs/articles/other_tools_files/header-attrs-2.9/header-attrs.js
docs/articles/output_database.html
docs/articles/output_database_files/header-attrs-2.9/header-attrs.js
docs/articles/public_database_construction.html
docs/articles/public_database_construction_files/header-attrs-2.9/header-attrs.js
docs/articles/public_databases.html
docs/articles/public_databases_files/header-attrs-2.9/header-attrs.js
docs/articles/work_with_mass_dataset.html
docs/articles/work_with_mass_dataset_files/header-attrs-2.9/header-attrs.js
docs/authors.html
docs/bootstrap-toc.css
docs/bootstrap-toc.js
docs/docsearch.css
docs/docsearch.js
docs/docsearch.json
docs/favicon-16x16.png
docs/favicon-32x32.png
docs/favicon.ico
docs/index.html
docs/link.svg
docs/logo.png
docs/man/figures/Figure_1.png
docs/man/figures/Screen Shot 2020-03-30 at 1.55.53 PM.png
docs/man/figures/Screen Shot 2020-03-30 at 10.48.10 PM.png
docs/man/figures/Screen Shot 2020-03-30 at 5.51.02 PM.png
docs/man/figures/Screen Shot 2020-03-30 at 7.05.35 PM.png
docs/man/figures/Screen Shot 2020-03-30 at 7.38.48 PM.png
docs/man/figures/Screen Shot 2020-03-30 at 9.49.16 PM.png
docs/man/figures/Screen Shot 2021-02-26 at 9.22.52 PM.png
docs/man/figures/compound_information.PNG
docs/man/figures/database_construction.png
docs/man/figures/parameter_setting_MS_conventer.png
docs/news/index.html
docs/pkgdown.css
docs/pkgdown.js
docs/pkgdown.yml
docs/reference/Rplot001.png
docs/reference/annotate_metabolites.html
docs/reference/annotate_metabolites_mass_dataset.html
docs/reference/annotate_peaks_mz_rt_ms2.html
docs/reference/annotate_single_peak_mass_dataset.html
docs/reference/calculate_confidence_level.html
docs/reference/calculate_dotproduct.html
docs/reference/calculate_ms2_matching_score.html
docs/reference/calculate_mz_match_score.html
docs/reference/calculate_rt_match_score.html
docs/reference/calculate_total_score.html
docs/reference/check_adduct_table.html
docs/reference/check_database.html
docs/reference/check_mass_dataset.html
docs/reference/check_ms1_ms2_info.html
docs/reference/check_parameters4annotate_metabolites.html
docs/reference/check_parameters4calculate_total_score.html
docs/reference/construct_database.html
docs/reference/construct_massbank_database.html
docs/reference/construct_mona_database.html
docs/reference/correct_database_rt.html
docs/reference/databaseClass-class.html
docs/reference/databaseConstruction.html
docs/reference/extract_database_name.html
docs/reference/extract_ms1_database.html
docs/reference/extract_ms1_info.html
docs/reference/extract_ms2_database.html
docs/reference/extract_ms2_info.html
docs/reference/figures/DP.PNG
docs/reference/figures/Figure_1.png
docs/reference/figures/IS_table.PNG
docs/reference/figures/Screen Shot 2020-03-30 at 1.55.53 PM.png
docs/reference/figures/Screen Shot 2020-03-30 at 10.48.10 PM.png
docs/reference/figures/Screen Shot 2020-03-30 at 5.51.02 PM.png
docs/reference/figures/Screen Shot 2020-03-30 at 7.05.35 PM.png
docs/reference/figures/Screen Shot 2020-03-30 at 7.38.48 PM.png
docs/reference/figures/Screen Shot 2020-03-30 at 9.49.16 PM.png
docs/reference/figures/Screen Shot 2021-02-26 at 9.21.32 PM.png
docs/reference/figures/Screen Shot 2021-02-26 at 9.22.52 PM.png
docs/reference/figures/Screen Shot 2021-12-24 at 9.28.18 PM.png
docs/reference/figures/compound_information.PNG
docs/reference/figures/data_organization_for_metabolite_identification.PNG
docs/reference/figures/database_construction.png
docs/reference/figures/fragment_match_fraction.PNG
docs/reference/figures/lifecycle-archived.svg
docs/reference/figures/lifecycle-defunct.svg
docs/reference/figures/lifecycle-deprecated.svg
docs/reference/figures/lifecycle-experimental.svg
docs/reference/figures/lifecycle-maturing.svg
docs/reference/figures/lifecycle-questioning.svg
docs/reference/figures/lifecycle-retired.svg
docs/reference/figures/lifecycle-soft-deprecated.svg
docs/reference/figures/lifecycle-stable.svg
docs/reference/figures/logo.png
docs/reference/figures/metabolite_identification.png
docs/reference/figures/metid_logo.png
docs/reference/figures/parameter_setting_MS_conventer.png
docs/reference/figures/workflow_metIdentify.png
docs/reference/figures/workflow_metid.jpg
docs/reference/filterIden.html
docs/reference/filter_adducts.html
docs/reference/filter_identification.html
docs/reference/getIdenInfo.html
docs/reference/getIdentificationTable.html
docs/reference/getIdentificationTable2.html
docs/reference/getMS2spectrum.html
docs/reference/getMS2spectrum2Object.html
docs/reference/getParams.html
docs/reference/getParams2.html
docs/reference/get_iden_info.html
docs/reference/get_identification_table.html
docs/reference/get_identification_table_all.html
docs/reference/get_ms2_spectrum.html
docs/reference/get_ms2_spectrum_from_object.html
docs/reference/get_parameters.html
docs/reference/get_parameters_metid.html
docs/reference/hilic.neg.html
docs/reference/hilic.pos.html
docs/reference/hmdb_ms1_database0.0.3.html
docs/reference/identifyPeak.html
docs/reference/identify_metabolite_all.html
docs/reference/identify_metabolites.html
docs/reference/identify_metabolites_mass_dataset.html
docs/reference/identify_metabolites_params.html
docs/reference/identify_ms2_only.html
docs/reference/identify_peak.html
docs/reference/identify_single_peak.html
docs/reference/index.html
docs/reference/load_adduct_table.html
docs/reference/match_ms2_fragments.html
docs/reference/match_ms2_temp.html
docs/reference/metIdentification.html
docs/reference/metIdentify.html
docs/reference/metIdentify4all.html
docs/reference/metIdentifyClass-class.html
docs/reference/metIdentifyParam.html
docs/reference/metIdentify_mass_dataset.html
docs/reference/metid.html
docs/reference/metid_conflicts.html
docs/reference/metid_logo.html
docs/reference/metid_packages.html
docs/reference/ms2_plot_mass_dataset.html
docs/reference/ms2plot.html
docs/reference/msDatabase_hilic0.0.2.html
docs/reference/msDatabase_rplc0.0.2.html
docs/reference/mzIdentify.html
docs/reference/mzIdentifyParam.html
docs/reference/mzIdentify_mass_dataset.html
docs/reference/mzIdentify_mass_dataset2.html
docs/reference/orbitrap_database0.0.3.html
docs/reference/plot_ms2_matching.html
docs/reference/readMGF.html
docs/reference/readMSP.html
docs/reference/readMSP_MoNA.html
docs/reference/readMZXML.html
docs/reference/read_mgf.html
docs/reference/read_mgf_experiment.html
docs/reference/read_mgf_gnps.html
docs/reference/read_mgf_mona.html
docs/reference/read_msp.html
docs/reference/read_msp_database.html
docs/reference/read_msp_gnps.html
docs/reference/read_msp_mona.html
docs/reference/read_mzxml.html
docs/reference/reexports.html
docs/reference/remove_impossible_annotations.html
docs/reference/remove_noise.html
docs/reference/rp.neg.html
docs/reference/rp.pos.html
docs/reference/snyder_database_hilic0.0.3.html
docs/reference/snyder_database_rplc0.0.3.html
docs/reference/summary-databaseClass.html
docs/reference/summary_annotation_table.html
docs/reference/trans2newStyle.html
docs/reference/trans_to_new_style.html
docs/reference/whichHasIden.html
docs/reference/which_has_identification.html
docs/reference/write_mgf_gnps.html
docs/reference/write_mgf_massbank.html
docs/reference/write_mgf_mona.html
docs/reference/write_msp.html
docs/reference/write_msp_gnps.html
docs/reference/write_msp_massbank.html
docs/reference/write_msp_mona.html
docs/sitemap.xml
inst/.DS_Store
inst/extdata/batch.design.csv
inst/ms1_peak/ms1.peak.table.csv
inst/ms2_data/QC1_MSMS_NCE25.mgf
inst/rstudio/addins.dcf
inst/unitTests/test_SXTpaste.R
man/.DS_Store
man/annotate_metabolites.Rd man/annotate_metabolites_mass_dataset.Rd man/annotate_peaks_mz_rt_ms2.Rd man/annotate_single_peak_mass_dataset.Rd man/calculate_confidence_level.Rd man/calculate_dotproduct.Rd man/calculate_ms2_matching_score.Rd man/calculate_mz_match_score.Rd man/calculate_rt_match_score.Rd man/calculate_total_score.Rd man/check_adduct_table.Rd man/check_database.Rd man/check_mass_dataset.Rd man/check_ms1_ms2_info.Rd man/check_parameters4annotate_metabolites.Rd man/check_parameters4calculate_total_score.Rd man/construct_database.Rd man/construct_massbank_database.Rd man/construct_mona_database.Rd man/correct_database_rt.Rd man/databaseClass-class.Rd man/extract_database_name.Rd man/extract_ms1_database.Rd man/extract_ms1_info.Rd man/extract_ms2_database.Rd man/extract_ms2_info.Rd
man/figures/DP.PNG
man/figures/Figure_1.png
man/figures/IS_table.PNG
man/figures/Screen Shot 2020-03-30 at 1.55.53 PM.png
man/figures/Screen Shot 2020-03-30 at 10.48.10 PM.png
man/figures/Screen Shot 2020-03-30 at 5.51.02 PM.png
man/figures/Screen Shot 2020-03-30 at 7.05.35 PM.png
man/figures/Screen Shot 2020-03-30 at 7.38.48 PM.png
man/figures/Screen Shot 2020-03-30 at 9.49.16 PM.png
man/figures/Screen Shot 2021-02-26 at 9.21.32 PM.png
man/figures/Screen Shot 2021-02-26 at 9.22.52 PM.png
man/figures/Screen Shot 2021-12-24 at 9.28.18 PM.png
man/figures/compound_information.PNG
man/figures/data_organization_for_metabolite_identification.PNG
man/figures/database_construction.png
man/figures/fragment_match_fraction.PNG
man/figures/lifecycle-archived.svg
man/figures/lifecycle-defunct.svg
man/figures/lifecycle-deprecated.svg
man/figures/lifecycle-experimental.svg
man/figures/lifecycle-maturing.svg
man/figures/lifecycle-questioning.svg
man/figures/lifecycle-retired.svg
man/figures/lifecycle-soft-deprecated.svg
man/figures/lifecycle-stable.svg
man/figures/logo.png
man/figures/metabolite_identification.png
man/figures/metid_logo.png
man/figures/parameter_setting_MS_conventer.png
man/figures/workflow_metIdentify.png
man/figures/workflow_metid.jpg
man/filter_adducts.Rd man/filter_identification.Rd man/getIdentificationTable2.Rd man/getMS2spectrum.Rd man/get_iden_info.Rd man/get_identification_table.Rd man/get_identification_table_all.Rd man/get_ms2_spectrum.Rd man/get_ms2_spectrum_from_object.Rd man/get_parameters.Rd man/get_parameters_metid.Rd man/hilic.neg.Rd man/hilic.pos.Rd man/identify_metabolite_all.Rd man/identify_metabolites.Rd man/identify_metabolites_params.Rd man/identify_ms2_only.Rd man/identify_peak.Rd man/identify_single_peak.Rd man/load_adduct_table.Rd man/match_ms2_fragments.Rd man/match_ms2_temp.Rd man/metIdentification.Rd man/metIdentify.Rd man/metIdentifyClass-class.Rd man/metIdentify_mass_dataset.Rd man/metid.Rd man/metid_conflicts.Rd man/metid_logo.Rd man/metid_packages.Rd man/ms2_plot_mass_dataset.Rd man/ms2plot.Rd man/msDatabase_hilic0.0.2.Rd man/msDatabase_rplc0.0.2.Rd man/mzIdentify.Rd man/mzIdentifyParam.Rd man/mzIdentify_mass_dataset.Rd man/orbitrap_database0.0.3.Rd man/plot_ms2_matching.Rd man/readMGF.Rd man/readMSP.Rd man/readMSP_MoNA.Rd man/readMZXML.Rd man/read_mgf_experiment.Rd man/read_mgf_gnps.Rd man/read_mgf_mona.Rd man/read_msp.Rd man/read_msp_database.Rd man/read_msp_gnps.Rd man/read_msp_mona.Rd man/reexports.Rd man/remove_impossible_annotations.Rd man/remove_noise.Rd man/rp.neg.Rd man/rp.pos.Rd man/snyder_database_hilic0.0.3.Rd man/snyder_database_rplc0.0.3.Rd man/summary-databaseClass.Rd man/summary_annotation_table.Rd man/trans_to_new_style.Rd man/which_has_identification.Rd man/write_mgf_gnps.Rd man/write_mgf_massbank.Rd man/write_mgf_mona.Rd man/write_msp.Rd man/write_msp_gnps.Rd man/write_msp_massbank.Rd man/write_msp_mona.Rd
metid.Rproj
pkgdown/favicon/apple-touch-icon-120x120.png
pkgdown/favicon/apple-touch-icon-152x152.png
pkgdown/favicon/apple-touch-icon-180x180.png
pkgdown/favicon/apple-touch-icon-60x60.png
pkgdown/favicon/apple-touch-icon-76x76.png
pkgdown/favicon/apple-touch-icon.png
pkgdown/favicon/favicon-16x16.png
pkgdown/favicon/favicon-32x32.png
pkgdown/favicon/favicon.ico
tests/testthat.R tests/testthat/test-identify_metabolites_mass_dataset.R
vignettes/.DS_Store
vignettes/.gitignore
vignettes/Version0_9_2.Rmd vignettes/annotate_single_peak_mass_dataset.Rmd vignettes/contact_us.Rmd vignettes/database_construction.Rmd
vignettes/database_construction.png
vignettes/identify_single_peak.Rmd vignettes/install.Rmd vignettes/metabolite_annotation_using_MS1.Rmd vignettes/metabolite_annotation_using_MS2.Rmd vignettes/metid_introduction.Rmd vignettes/ms2_plot_mass_dataset.Rmd vignettes/multiple_databases.Rmd
vignettes/object_neg2
vignettes/other_tools.Rmd vignettes/output_database.Rmd vignettes/public_database_construction.Rmd vignettes/public_databases.Rmd vignettes/work_with_mass_dataset.Rmd
tidymass/metid documentation built on Oct. 8, 2024, 10:32 p.m.