Package: SpectriPy
Title: Enhancing Cross-Language Mass Spectrometry Data Analysis with R and Python
Version: 1.1.0
Description: The SpectriPy package allows integration of Python-based MS
    analysis code with the Spectra package. Spectra objects can be converted
    into Python MS data structures. In addition, SpectriPy integrates
    and wraps the similarity scoring and processing/filtering functions
    from the Python matchms package into R.
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 = "Carolin", family = "Huber",
                    email = "Carolin-elisabeth.huber@ufz.de",
                    role = c("aut"),
                    comment = c(ORCID = "0000-0002-9355-8948")),
             person(given = "Helge", family = "Hecht",
                    email = "helge.hecht@recetox.muni.cz",
                    role = c("ctb"),
                    comment = c(ORCID = "0000-0001-6744-996X")),
             person(given = "Marilyn", family = "De Graeve",
                    email = "marilyn.degraeve@eurac.edu",
                    role = c("aut"),
                    comment = c(ORCID = "0000-0001-6916-401X")),
             person(given = "Wout", family = "Bittremieux",
                    email = "wout.bittremieux@uantwerpen.be",
                    role = c("aut"),
                    comment = c(ORCID = "0000-0002-3105-1359")),
             person(given = "Thomas", family = "Naake",
                    email = "thomasnaake@googlemail.com",
                    role = c("aut"),
                    comment = c(ORCID = "0000-0001-7917-5580")),
             person(given = "Victor", family = "Chrone",
                    email = "vchrone@bmb.sdu.dk",
                    role = c("ctb"),
                    comment = c(ORCID = "0009-0007-2121-4066")),
             person(given = "Matthias", family = "Anagho-Mattanovich",
                    email = "matthias.mattanovich@sund.ku.dk",
                    role = c("ctb"),
                    comment = c(ORCID = "0000-0001-7561-7898")),
             person(given = "Pierre", family = "Marchal",
                    email = "pierre.marchal@unibe.ch",
                    role = c("ctb"),
                    comment = c(ORCID = "0009-0006-6567-6257")),
             person(given = "Philippine", family = "Louail",
                    email = "philippine.louail@eurac.edu",
                    role = c("ctb"),
                    comment = c(ORCID = "0009-0007-5429-6846"))
             )
Depends:
    R (>= 4.4.0),
    reticulate (>= 1.42.0)
Imports:
    Spectra (>= 1.19.9),
    IRanges,
    S4Vectors,
    MsCoreUtils,
    ProtGenerics,
    methods
Suggests:
    testthat,
    quarto,
    MsBackendMgf,
    MsDataHub,
    mzR,
    knitr,
    BiocStyle
License: Artistic-2.0
BugReports: https://github.com/RforMassSpectrometry/SpectriPy/issues
URL: https://github.com/RforMassSpectrometry/SpectriPy
biocViews: Infrastructure, Metabolomics, MassSpectrometry, Proteomics
Encoding: UTF-8
SystemRequirements:
    python (>= 3.12),
    pandoc,
    quarto
VignetteBuilder: quarto
Roxygen: list(markdown = TRUE)
RoxygenNote: 7.3.3
Collate:
    'conversion.R'
    'MsBackendPython.R'
    'compareSpectriPy.R'
    'filterSpectriPy.R'
    'zzz.R'
git_url: https://git.bioconductor.org/packages/SpectriPy
git_branch: devel
git_last_commit: 09e5773
git_last_commit_date: 2025-10-29
Repository: Bioconductor 3.23
