Files in rickhelmus/patRoon
Workflows for Mass-Spectrometry Based Non-Target Analysis

.Rbuildignore
.circleci/config.yml
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.github/workflows/btd.yml
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DESCRIPTION
LICENSE
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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
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TODO.md
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av_trigger_deps.ps1
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data-raw/adducts-metfrag.csv
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data-raw/prepare-data.R
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inst/CITATION
inst/REFERENCES.bib
inst/examples/optimization.R
inst/js/utils-checkUI.js
inst/js/utils-comp.js
inst/js/utils-report-legacy.js
inst/js/utils-report.js
inst/misc/IDLevelRules.yml
inst/misc/genform.txt
inst/misc/runSAFD.jl
inst/report-legacy/TPs.Rmd inst/report-legacy/annotation.Rmd inst/report-legacy/components.Rmd inst/report-legacy/featinfo.Rmd inst/report-legacy/main.Rmd inst/report/components_int.Rmd inst/report/components_nt.Rmd inst/report/components_spec.Rmd inst/report/details.Rmd inst/report/istds.Rmd
inst/report/modal.html
inst/report/report.Rmd
inst/report/settings.yml
inst/rstudio/addins.dcf
inst/templates/comp-cluster.Rmd install_patRoon.R
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man/macros/macros.Rd
man/makeSet.Rd man/newProject.Rd man/optimizationResult-class.Rd man/patRoon-defunct.Rd man/patRoon-deprecated.Rd man/patRoon-package.Rd man/pred-aggr-params.Rd man/pred-quant.Rd man/pred-tox.Rd man/printPackageOpts.Rd man/reporting-legacy.Rd man/reporting.Rd man/sets-workflow.Rd man/specSimParams.Rd man/suspect-screening.Rd man/transformationProducts-class.Rd man/transformationProductsFormula-class.Rd man/transformationProductsStructure-class.Rd man/verifyDependencies.Rd man/withOpt.Rd man/workflowStep-class.Rd man/workflowStepSet-class.Rd man/xcms-conv.Rd
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tools/update-license-header.R
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 March 29, 2025, 3:30 p.m.