Package: GCalignR
Title: Simple Peak Alignment for Gas-Chromatography Data
Version: 1.0.7.2
Date: 2026-05-11
Encoding: UTF-8
Authors@R: c(
    person("Meinolf", "Ottensmann", email = "meinolf.ottensmann@web.de", role = c("aut","cre"), 
    comment = c(ORCID = "0000-0003-3112-6928")),
    person("Martin", "Stoffel", email = "martin.adam.stoffel@gmail.com", role = c("aut")),
    person("Hazel J.", "Nichols", role = c("aut")),
    person("Joseph I.", "Hoffman", role = c("aut")))
Description: Aligns peak based on peak retention times and matches
        homologous peaks across samples. The underlying alignment
        procedure comprises three sequential steps. (1) Full alignment
        of samples by linear transformation of retention times to
        maximise similarity among homologous peaks (2) Partial
        alignment of peaks within a user-defined retention time window
        to cluster homologous peaks (3) Merging rows that are likely
        representing homologous substances (i.e. no sample shows peaks
        in both rows and the rows have similar retention time means).
        The algorithm is described in detail in Ottensmann et al., 2018
        <doi:10.1371/journal.pone.0198311>.
Depends: R (>= 3.2.5)
Imports: ggplot2 (>= 2.2.1), graphics, stats, readr, reshape2, stringr,
        utils, pbapply, methods, tibble
License: GPL (>= 2) | file LICENSE
Language: en-GB
LazyData: true
Suggests: knitr, pander, rmarkdown, testthat, vegan (>= 2.4.2)
VignetteBuilder: knitr
BugReports: https://github.com/mottensmann/GCalignR/issues
URL: https://github.com/mottensmann/GCalignR
Config/roxygen2/version: 8.0.0
Config/pak/sysreqs: libicu-dev libx11-dev
Repository: https://mottensmann.r-universe.dev
Date/Publication: 2026-05-11 15:56:33 UTC
RemoteUrl: https://github.com/mottensmann/gcalignr
RemoteRef: HEAD
RemoteSha: 1ec14140d9eda729b5eb789750512a65c1eb74e8
NeedsCompilation: no
Packaged: 2026-10-08 08:22:31 UTC; root
Author: Meinolf Ottensmann [aut, cre] (ORCID:
    <https://orcid.org/0000-0003-3112-6928>),
  Martin Stoffel [aut],
  Hazel J. Nichols [aut],
  Joseph I. Hoffman [aut]
Maintainer: Meinolf Ottensmann <meinolf.ottensmann@web.de>
