Package: MetaboAnnotation
Title: Utilities for Annotation of Metabolomics Data
Version: 1.16.0
Description: High level functions to assist in annotation of
        (metabolomics) data sets. These include functions to perform
        simple tentative annotations based on mass matching but also
        functions to consider m/z and retention times for annotation of
        LC-MS features given that respective reference values are
        available. In addition, the function provides high-level
        functions to simplify matching of LC-MS/MS spectra against
        spectral libraries and objects and functionality to represent
        and manage such matched data.
Authors@R: 
    c(person(given = "Michael", family = "Witting",
             role = c("aut"),
             email = "michael.witting@helmholtz-muenchen.de",
             comment = c(ORCID = "0000-0002-1462-4426")),
      person(given = "Johannes", family = "Rainer",
             email = "Johannes.Rainer@eurac.edu",
             role = c("aut", "cre"),
             comment = c(ORCID = "0000-0002-6977-7147")),
      person(given = "Andrea", family = "Vicini",
             email = "andrea.vicini@eurac.edu",
             role = c("aut"),
             comment = c(ORCID = "0000-0001-9438-6909")),
      person(given = "Carolin", family = "Huber",
             email = "carolin-elisabeth.huber@ufz.de",
             role = c("aut"),
             comment = c(ORCID = "0000-0002-9355-8948")),
      person(given = "Philippine", family = "Louail",
             email = "philippine.louail@eurac.edu",
             role = c("aut"),
             comment = c(ORCID = "0009-0007-5429-6846")),
      person(given = "Nir", family = "Shachaf",
             email = "nir.shachaf@weizmann.ac.il",
	     role = "ctb"))
Depends: R (>= 4.0.0)
Imports: BiocGenerics, MsCoreUtils, MetaboCoreUtils, ProtGenerics,
        methods, S4Vectors, Spectra (>= 1.21.5), BiocParallel,
        SummarizedExperiment, QFeatures, AnnotationHub, graphics,
        CompoundDb
Suggests: testthat, knitr, MsDataHub, BiocStyle, rmarkdown, plotly,
        shiny, shinyjs, msentropy, DT, microbenchmark, mzR
Enhances: RMariaDB, RSQLite
License: Artistic-2.0
VignetteBuilder: knitr
BugReports: https://github.com/RforMassSpectrometry/MetaboAnnotation/issues
URL: https://github.com/RforMassSpectrometry/MetaboAnnotation
biocViews: Infrastructure, Metabolomics, MassSpectrometry
Roxygen: list(markdown=TRUE)
RoxygenNote: 7.3.3
Encoding: UTF-8
Collate: 'AllClassUnions.R' 'AllGenerics.R' 'CompAnnotationSource.R'
        'CompDbSource.R' 'Matched.R' 'MatchedSpectra.R'
        'group_standards.R' 'hidden-aliases.R' 'matchFormula.R'
        'matchSpectra.R' 'matchValues.R' 'validateMatchedSpectra.R'
Config/pak/sysreqs: cmake libglpk-dev make libicu-dev libpng-dev
        librsvg2-dev libuv1-dev libxml2-dev libssl-dev zlib1g-dev
Repository: https://bioc-release.r-universe.dev
Date/Publication: 2026-04-28 12:57:45 UTC
RemoteUrl: https://github.com/bioc/MetaboAnnotation
RemoteRef: RELEASE_3_23
RemoteSha: 1d42fb2fb0cef2cd865015de88a8e80836995b5b
NeedsCompilation: no
Packaged: 2026-04-29 23:18:07 UTC; root
Author: Michael Witting [aut] (ORCID: <https://orcid.org/0000-0002-1462-4426>),
  Johannes Rainer [aut, cre] (ORCID:
    <https://orcid.org/0000-0002-6977-7147>),
  Andrea Vicini [aut] (ORCID: <https://orcid.org/0000-0001-9438-6909>),
  Carolin Huber [aut] (ORCID: <https://orcid.org/0000-0002-9355-8948>),
  Philippine Louail [aut] (ORCID:
    <https://orcid.org/0009-0007-5429-6846>),
  Nir Shachaf [ctb]
Maintainer: Johannes Rainer <Johannes.Rainer@eurac.edu>
Built: R 4.6.0; ; 2026-04-29 23:22:19 UTC; windows
