Package: GCIMS
Type: Package
Title: Pre-processing for GC-IMS data
Version: 0.1.1
Encoding: UTF-8
Date: 2024-04-29
Authors@R: c(
  person(
    given = "Sergio",
    family = "Oller Moreno",
    email = "soller@ibecbarcelona.eu",
    role = c("aut", "cre"),
    comment = c(ORCID = "0000-0002-8994-1549")
  ),
  person(
    given = "Celia",
    family = "Mallafré Muro",
    email = "cmallafre@ibecbarcelona.eu",
    role = "aut",
    comment = c(ORCID = "0000-0001-8247-1719")
  ),
  person(
    given = "Luis",
    family = "Fernandez",
    email = "lfernandez@ibecbarcelona.eu",
    role = "aut",
    comment = c(ORCID = "0000-0001-9790-6287")
  ),
  person(
    given = "Eduardo",
    family = "Caballero Saldivar",
    email = "ecaballero@ibecbarcelona.eu",
    role = c("aut"),
    comment = c(ORCID = "0000-0002-9698-0749")
  ),
  person(
    given = "Arnau",
    family = "Blanco Borrego",
    email = "blancoarnau@gmail.com",
    role = "aut",
    comment = c(ORCID = "0000-0002-5287-7491")
  ),  
  person(
    given = "Antonio",
    family = "Pardo Matínez",
    email = "a.pardo@ub.edu",
    role = c("aut"),
    comment = c(ORCID = "0000-0003-4369-544X")
  ),
  person(
    given = "Santiago",
    family = "Marco Colás",
    email = "smarco@ibecbarcelona.eu",
    role = c("aut"),
    comment = c(ORCID = "0000-0003-2663-2965")
  ),
  person(
    given = "Institute for Bioengineering of Catalonia",
    role = "cph"
  )
 )
Description: A package for the analysis of ion mobility spectrometry
        (IMS) measurements, as well as samples from multicapillary
        columns coupled with IMS (MCC-IMS) and gas chromatography
        coupled to ion mobility spectrometry (GC-IMS). The package
        provides a complete workflow for the analysis, importing the
        data, preprocessing the spectra as well as classification and
        regression techniques for the modelling of the spectra. The
        package also includes visualization helpers, to represent
        topographic plots, extracted and total ion chromatograms and
        IMS spectra.
Depends: R(>= 4.3.0)
License: MIT + file LICENSE
Imports: Biobase, BiocParallel (>= 1.34), BiocGenerics, cli, cluster,
        digest, dplyr (>= 1.0.2), ggplot2 (>= 3.3.2), glue,
        MassSpecWavelet (>= 1.63.5), mdendro, methods, ProtGenerics (>=
        1.24.0), ptw (>= 1.9-10), purrr (>= 0.3.4), R6, reshape2 (>=
        1.1.4), rlang, S4Vectors, sgolay, signal (>= 0.7-6), stats (>=
        4.0.2), stringr, tibble, tidyr (>= 1.1.2), utils (>= 4.0.2),
        yaml
Suggests: BiocStyle, cowplot, curl, farver, httr, knitr, labeling,
        magick, Matrix, plotly, png, pracma, rmarkdown, scales,
        testthat (>= 3.0.0), viridisLite
biocViews: Software, Preprocessing, Visualization, Classification,
        Cheminformatics, Metabolomics, DataImport
RoxygenNote: 7.3.1
VignetteBuilder: knitr
Config/testthat/edition: 3
Roxygen: list(markdown = TRUE)
Config/pak/sysreqs: libicu-dev
Repository: https://zeehio.r-universe.dev
Date/Publication: 2026-07-05 10:18:59 UTC
RemoteUrl: https://github.com/sipss/GCIMS
RemoteRef: HEAD
RemoteSha: 7d958d73dfff1a6f8fc38d053a7bc0e5e52fe0fb
NeedsCompilation: no
Packaged: 2026-07-05 20:24:44 UTC; root
Author: Sergio Oller Moreno [aut, cre] (ORCID:
    <https://orcid.org/0000-0002-8994-1549>),
  Celia Mallafré Muro [aut] (ORCID:
    <https://orcid.org/0000-0001-8247-1719>),
  Luis Fernandez [aut] (ORCID: <https://orcid.org/0000-0001-9790-6287>),
  Eduardo Caballero Saldivar [aut] (ORCID:
    <https://orcid.org/0000-0002-9698-0749>),
  Arnau Blanco Borrego [aut] (ORCID:
    <https://orcid.org/0000-0002-5287-7491>),
  Antonio Pardo Matínez [aut] (ORCID:
    <https://orcid.org/0000-0003-4369-544X>),
  Santiago Marco Colás [aut] (ORCID:
    <https://orcid.org/0000-0003-2663-2965>),
  Institute for Bioengineering of Catalonia [cph]
Maintainer: Sergio Oller Moreno <soller@ibecbarcelona.eu>