Files in rickhelmus/patRoon

Workflows for Mass-Spectrometry Based Non-Target Analysis

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DESCRIPTION

LICENSE

NAMESPACE

NEWS.md R/RcppExports.R R/TP-CTS.R R/TP-biotransformer.R R/TP-formula.R R/TP-library.R R/TP-library_formula.R R/TP-logic.R R/TP-structure.R R/TP.R R/adduct.R R/analysisInfo.R R/cache.R R/check_components.R R/check_features.R R/check_ui.R R/components-camera.R R/components-cliquems.R R/components-clust.R R/components-features.R R/components-intclust.R R/components-nontarget-set.R R/components-nontarget.R R/components-openms.R R/components-ramclustr.R R/components-set.R R/components-specclust.R R/components-tps.R R/components.R R/compounds-cluster.R R/compounds-library.R R/compounds-metfrag.R R/compounds-set.R R/compounds-sirius.R R/compounds.R R/convert.R R/defunct.R R/deprecated.R R/doe-optimizer.R R/feature_annotations.R R/feature_groups-bruker.R R/feature_groups-comparison.R R/feature_groups-envimass.R R/feature_groups-filter.R R/feature_groups-kpic2.R R/feature_groups-openms.R R/feature_groups-optimize-kpic2.R R/feature_groups-optimize-openms.R R/feature_groups-optimize-xcms.R R/feature_groups-optimize-xcms3.R R/feature_groups-optimize.R R/feature_groups-plot.R R/feature_groups-screening-set.R R/feature_groups-screening.R R/feature_groups-set.R R/feature_groups-sirius.R R/feature_groups-tasq.R R/feature_groups-xcms.R R/feature_groups-xcms3.R R/feature_groups.R R/features-bruker.R R/features-envipick.R R/features-kpic2.R R/features-openms.R R/features-optimize-envipick.R R/features-optimize-kpic2.R R/features-optimize-openms.R R/features-optimize-xcms.R R/features-optimize-xcms3.R R/features-optimize.R R/features-safd.R R/features-set.R R/features-sirius.R R/features-tasq.R R/features-xcms.R R/features-xcms3.R R/features.R R/formulas-bruker.R R/formulas-genform.R R/formulas-set.R R/formulas-sirius.R R/formulas.R R/generics.R R/main.R R/mslibrary-json.R R/mslibrary-msp.R R/mslibrary.R R/mspeaklists-bruker.R R/mspeaklists-mzr.R R/mspeaklists-set.R R/mspeaklists.R R/multi-process-classic.R R/multi-process-future.R R/multi-process.R R/project-tool.R R/report-html-TPs.R R/report-html-components.R R/report-html-feat_annotations.R R/report-html-features.R R/report-html-utils.R R/report-html.R R/report-legacy.R R/report.R

R/sysdata.rda

R/utils-IPO.R R/utils-TPs.R R/utils-adduct.R R/utils-bruker.R R/utils-checkmate.R R/utils-components.R R/utils-compounds.R R/utils-exported.R R/utils-feat_annotations-set.R R/utils-feat_annotations.R R/utils-features.R R/utils-formulas.R R/utils-mol.R R/utils-mslibrary.R R/utils-mspeaklists.R R/utils-mzr.R R/utils-optimize.R R/utils-plot.R R/utils-progress.R R/utils-screening.R R/utils-sets.R R/utils-sirius.R R/utils-xcms.R R/utils.R R/workflow-step-set.R R/workflow-step.R R/zzz.R README.md TODO.md

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data-raw/adducts-genform.csv

data-raw/adducts-metfrag.csv

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data-raw/prepare-data.R

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tests/testthat/test_data_sets/plists-DAFMF.txt

tests/testthat/test_data_sets/plists-mzr.Rds

tests/testthat/test_data_sets/plists-mzr.txt

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tests/testthat/test_data_sets/pred-scr.Rds

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tests/testthat/test_data_sets/susp-tasq.txt

tests/testthat/test_data_sets/test-mf-db-isomers.csv

tests/testthat/test_data_sets/test-mf-db.csv

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tests/testthat/test_data_sets/tp-bt_comp.txt

tests/testthat/test_data_sets/tp-bt_scr.Rds

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tests/testthat/test_data_sets/tp-logic.txt

vignettes/.gitignore

vignettes/_output.yml

vignettes/handbook/TPs.Rmd

vignettes/handbook/_bookdown.yml

vignettes/handbook/_output.yml

vignettes/handbook/advanced.Rmd

vignettes/handbook/bundle.png

vignettes/handbook/concepts.Rmd vignettes/handbook/generate.R vignettes/handbook/get_rdeps.R vignettes/handbook/index.Rmd vignettes/handbook/installation.Rmd vignettes/handbook/intro.Rmd vignettes/handbook/processing.Rmd vignettes/handbook/references.Rmd

vignettes/handbook/refs.bib

vignettes/handbook/sets-workflows.Rmd vignettes/handbook/setup.Rmd

vignettes/handbook/styles.css

vignettes/handbook/workflow_gen.Rmd

vignettes/newp.png

vignettes/script-post.R vignettes/script-pre.R vignettes/shared/_refs.Rmd vignettes/shared/init.R

vignettes/styles.css

vignettes/tutorial.Rmd

rickhelmus/patRoon documentation built on April 25, 2024, 8:15 a.m.