DESCRIPTION

Package: MetaboAnnotation
Title: Utilities for Annotation of Metabolomics Data
Version: 1.11.1
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 (>= 1.13.2),
    BiocParallel,
    SummarizedExperiment,
    QFeatures,
    AnnotationHub,
    graphics,
    CompoundDb
Suggests:
    testthat,
    knitr,
    msdata,
    BiocStyle,
    rmarkdown,
    plotly,
    shiny,
    shinyjs,
    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: 7.3.2
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'