Package: RMassBank
Type: Package
Title: Workflow to process tandem MS files and build MassBank records
Version: 3.14.0
Authors@R: c(
    person(given = "RMassBank at Eawag", email = "massbank@eawag.ch",
    role=c("cre")),
    person(given = "Michael A.", family = "Stravs", email =
    "michael.stravs@eawag.ch", role=c("aut")), person(given = "Emma L.",
    family = "Schymanski", email = "emma.schymanski@uni.lu", role=c("aut")),
    person(given = "Steffen", family = "Neumann", role = "aut", email =
    "sneumann@ipb-halle.de"), person(given = "Erik", family = "Muller", role =
    "aut", email = "erik.mueller@ufz.de"), person(given = "Paul", family = "Stahlhofen", role =
    "aut", email = "paul-jonas.stahlhofen@ufz.de"),
	person(given = "Tobias", family = "Schulze", role = "ctb", email =
    "tobias.schulze@ufz.de"), person(given =
    "Hendrik", family = "Treutler", role = "ctb", email =
    "hendrik.treutler@gmail.com") )
Author: Michael Stravs, Emma Schymanski, Steffen Neumann, Erik Mueller, with
    contributions from Tobias Schulze
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
SystemRequirements: OpenBabel
VignetteBuilder: knitr
biocViews: ImmunoOncology, Bioinformatics, MassSpectrometry,
        Metabolomics, Software
Depends: Rcpp
Encoding: UTF-8
Imports: XML,rjson,S4Vectors,digest,
        rcdk,yaml,mzR,methods,Biobase,MSnbase,httr,
        enviPat,assertthat,logger,readJDX,webchem,
        ChemmineR,ChemmineOB,R.utils,data.table,glue
Suggests: BiocStyle,gplots,RMassBankData (>= 1.33.1), xcms (>= 1.37.1),
        CAMERA, RUnit, knitr, rmarkdown
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'
RoxygenNote: 7.2.3
git_url: https://git.bioconductor.org/packages/RMassBank
git_branch: RELEASE_3_19
git_last_commit: 8ec7b0f
git_last_commit_date: 2024-04-30
Repository: Bioconductor 3.19
Date/Publication: 2024-05-01
NeedsCompilation: no
Packaged: 2024-05-02 01:35:34 UTC; biocbuild
Built: R 4.4.0; ; 2024-05-02 13:24:29 UTC; windows
