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Michele Stravs
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,108 +1,108 @@ | ||
| Type: Package | ||
| Package: RMassBank | ||
| Title: Workflow to process tandem MS files and build MassBank records | ||
| Version: 3.15.1 | ||
| Authors@R: c( | ||
| person("RMassBank at Eawag", , , "massbank@eawag.ch", role = "cre"), | ||
| person("Michael A.", "Stravs", , "michael.stravs@eawag.ch", role = "aut", | ||
| comment = c(ORCID = "0000-0002-1426-8572")), | ||
| person("Emma L.", "Schymanski", , "emma.schymanski@uni.lu", role = "aut", | ||
| comment = c(ORCID = "0000-0001-6868-8145")), | ||
| person("Steffen", "Neumann", , "sneumann@ipb-halle.de", role = "aut", | ||
| comment = c(ORCID = "0000-0002-7899-7192")), | ||
| person("Erik", "Muller", , , role = "aut", | ||
| comment = c(ORCID = "0000-0003-3288-0439")), | ||
| person("Paul", "Stahlhofen", , , role = "aut"), | ||
| person("Tobias", "Schulze", , "tsufz1@gmail.com", role = "aut", | ||
| comment = c(ORCID = "0000-0002-9744-8914")), | ||
| person("Hendrik", "Treutler", , "hendrik.treutler@gmail.com", role = "ctb") | ||
| ) | ||
| Author: Michael Stravs, Emma Schymanski, Steffen Neumann, Erik Mueller, | ||
| Paul Stahlhofen, Tobias Schulze with contributions of Hendrik Treutler | ||
| Maintainer: RMassBank at Eawag <massbank@eawag.ch> | ||
| Description: Workflow to process tandem MS files and build MassBank | ||
| records. Functions include automated extraction of tandem MS spectra, | ||
| formula assignment to tandem MS fragments, recalibration of tandem MS | ||
| spectra with assigned fragments, spectrum cleanup, automated retrieval | ||
| of compound information from Internet databases, and export to | ||
| MassBank records. | ||
| License: Artistic-2.0 | ||
| Depends: | ||
| Rcpp | ||
| Imports: | ||
| assertthat, | ||
| Biobase, | ||
| ChemmineR, | ||
| data.table, | ||
| digest, | ||
| dplyr, | ||
| enviPat, | ||
| glue, | ||
| httr, | ||
| httr2, | ||
| logger, | ||
| methods, | ||
| MSnbase, | ||
| mzR, | ||
| purrr, | ||
| R.utils, | ||
| rcdk, | ||
| readJDX, | ||
| readr, | ||
| rjson, | ||
| S4Vectors, | ||
| tibble, | ||
| tidyselect, | ||
| webchem, | ||
| XML, | ||
| yaml | ||
| Suggests: | ||
| BiocStyle, | ||
| CAMERA, | ||
| gplots, | ||
| knitr, | ||
| magick, | ||
| rmarkdown, | ||
| RMassBankData (>= 1.33.1), | ||
| RUnit, | ||
| xcms (>= 1.37.1) | ||
| VignetteBuilder: | ||
| knitr | ||
| biocViews: ImmunoOncology, Bioinformatics, MassSpectrometry, Metabolomics, | ||
| Software | ||
| Encoding: UTF-8 | ||
| RoxygenNote: 7.2.3 | ||
| SystemRequirements: OpenBabel | ||
| Collate: | ||
| 'alternateAnalyze.R' | ||
| 'formulaCalculator.R' | ||
| 'getSplash.R' | ||
| 'leCsvAccess.R' | ||
| 'settings_example.R' | ||
| 'webAccess.R' | ||
| 'deprofile.R' | ||
| 'parseMassBank.R' | ||
| 'Generics.R' | ||
| 'SpectrumClasses.R' | ||
| 'SpectrumMethods.R' | ||
| 'RmbSpectrum2Update.R' | ||
| 'readWriteMgfData.R' | ||
| 'RmbWorkspace.R' | ||
| 'RmbWorkspaceUpdate.R' | ||
| 'SpectraSetMethods.R' | ||
| 'AggregateMethods.R' | ||
| 'leMsMs.r' | ||
| 'leMsmsRaw.R' | ||
| 'buildRecord.R' | ||
| 'createMassBank.R' | ||
| 'msmsRawExtensions.r' | ||
| 'validateMassBank.R' | ||
| 'tools.R' | ||
| 'msmsRead.R' | ||
| 'mergeSpectra.R' | ||
| 'Isotopic_Annotation.R' | ||
| 'fillback.R' | ||
| 'parseMbRecord.R' | ||
| 'zzz.R' | ||
| 'log_wrapper.R' | ||
| 'createCompoundlist.R' | ||
| Type: Package | ||
| Package: RMassBank | ||
| Title: Workflow to process tandem MS files and build MassBank records | ||
| Version: 3.15.2 | ||
| Authors@R: c( | ||
| person("RMassBank at Eawag", , , "massbank@eawag.ch", role = "cre"), | ||
| person("Michael A.", "Stravs", , "michael.stravs@eawag.ch", role = "aut", | ||
| comment = c(ORCID = "0000-0002-1426-8572")), | ||
| person("Emma L.", "Schymanski", , "emma.schymanski@uni.lu", role = "aut", | ||
| comment = c(ORCID = "0000-0001-6868-8145")), | ||
| person("Steffen", "Neumann", , "sneumann@ipb-halle.de", role = "aut", | ||
| comment = c(ORCID = "0000-0002-7899-7192")), | ||
| person("Erik", "Muller", , , role = "aut", | ||
| comment = c(ORCID = "0000-0003-3288-0439")), | ||
| person("Paul", "Stahlhofen", , , role = "aut"), | ||
| person("Tobias", "Schulze", , "tsufz1@gmail.com", role = "aut", | ||
| comment = c(ORCID = "0000-0002-9744-8914")), | ||
| person("Hendrik", "Treutler", , "hendrik.treutler@gmail.com", role = "ctb") | ||
| ) | ||
| Author: Michael Stravs, Emma Schymanski, Steffen Neumann, Erik Mueller, | ||
| Paul Stahlhofen, Tobias Schulze with contributions of Hendrik Treutler | ||
| Maintainer: RMassBank at Eawag <massbank@eawag.ch> | ||
| Description: Workflow to process tandem MS files and build MassBank | ||
| records. Functions include automated extraction of tandem MS spectra, | ||
| formula assignment to tandem MS fragments, recalibration of tandem MS | ||
| spectra with assigned fragments, spectrum cleanup, automated retrieval | ||
| of compound information from Internet databases, and export to | ||
| MassBank records. | ||
| License: Artistic-2.0 | ||
| Depends: | ||
| Rcpp | ||
| Imports: | ||
| assertthat, | ||
| Biobase, | ||
| ChemmineR, | ||
| data.table, | ||
| digest, | ||
| dplyr, | ||
| enviPat, | ||
| glue, | ||
| httr, | ||
| httr2, | ||
| logger, | ||
| methods, | ||
| MSnbase, | ||
| mzR, | ||
| purrr, | ||
| R.utils, | ||
| rcdk, | ||
| readJDX, | ||
| readr, | ||
| rjson, | ||
| S4Vectors, | ||
| tibble, | ||
| tidyselect, | ||
| webchem, | ||
| XML, | ||
| yaml | ||
| Suggests: | ||
| BiocStyle, | ||
| CAMERA, | ||
| gplots, | ||
| knitr, | ||
| magick, | ||
| rmarkdown, | ||
| RMassBankData (>= 1.33.1), | ||
| RUnit, | ||
| xcms (>= 1.37.1) | ||
| VignetteBuilder: | ||
| knitr | ||
| biocViews: ImmunoOncology, Bioinformatics, MassSpectrometry, Metabolomics, | ||
| Software | ||
| Encoding: UTF-8 | ||
| RoxygenNote: 7.2.3 | ||
| SystemRequirements: OpenBabel | ||
| Collate: | ||
| 'alternateAnalyze.R' | ||
| 'formulaCalculator.R' | ||
| 'getSplash.R' | ||
| 'leCsvAccess.R' | ||
| 'settings_example.R' | ||
| 'webAccess.R' | ||
| 'deprofile.R' | ||
| 'parseMassBank.R' | ||
| 'Generics.R' | ||
| 'SpectrumClasses.R' | ||
| 'SpectrumMethods.R' | ||
| 'RmbSpectrum2Update.R' | ||
| 'readWriteMgfData.R' | ||
| 'RmbWorkspace.R' | ||
| 'RmbWorkspaceUpdate.R' | ||
| 'SpectraSetMethods.R' | ||
| 'AggregateMethods.R' | ||
| 'leMsMs.r' | ||
| 'leMsmsRaw.R' | ||
| 'buildRecord.R' | ||
| 'createMassBank.R' | ||
| 'msmsRawExtensions.r' | ||
| 'validateMassBank.R' | ||
| 'tools.R' | ||
| 'msmsRead.R' | ||
| 'mergeSpectra.R' | ||
| 'Isotopic_Annotation.R' | ||
| 'fillback.R' | ||
| 'parseMbRecord.R' | ||
| 'zzz.R' | ||
| 'log_wrapper.R' | ||
| 'createCompoundlist.R' |