DESCRIPTION

Package: GCalignR
Title: Simple Peak Alignment for Gas-Chromatography Data
Version: 1.0.7.1
Date: 2024-09-29
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
RoxygenNote: 7.3.2
Suggests:
    knitr,
    pander,
    rmarkdown,
    testthat,
    vegan (>= 2.4.2)
VignetteBuilder: knitr
BugReports: https://github.com/mottensmann/GCalignR/issues
URL: https://github.com/mottensmann/GCalignR