DESCRIPTION

Type: Package
Package: chromatographR
Title: Chromatographic Data Analysis Toolset
Version: 0.7.2
Authors@R: c(
    person("Ethan", "Bass", , "ethanbass@gmail.com", role = c("aut", "cre"),
           comment = c(ORCID = "0000-0002-6175-6739")),
    person(c("Hans","W"), "Borchers", role = c("ctb", "cph"),
            comment = c("Author of savgol and pinv functions bundled from pracma"))
    )
Maintainer: Ethan Bass <ethanbass@gmail.com>
Description: Tools for high-throughput analysis of HPLC-DAD/UV
    chromatograms (or similar data). Includes functions for preprocessing, alignment,
    peak-finding and fitting, peak-table construction, data-visualization, etc.
    Preprocessing and peak-table construction follow the rough formula laid out
    in alsace (Wehrens, R., Bloemberg, T.G., and Eilers P.H.C., 2015.
    <doi:10.1093/bioinformatics/btv299>. Alignment of chromatograms is available
    using parametric time warping (ptw) (Wehrens, R., Bloemberg, T.G., and Eilers
    P.H.C. 2015. <doi:10.1093/bioinformatics/btv299>) or variable penalty dynamic
    time warping (VPdtw) (Clifford, D., & Stone, G. 2012. <doi:10.18637/jss.v047.i08>).
    Peak-finding uses the algorithm by Tom O'Haver
    <https://terpconnect.umd.edu/~toh/spectrum/PeakFindingandMeasurement.htm>.
    Peaks are then fitted to a gaussian or exponential-gaussian hybrid peak shape
    using non-linear least squares (Lan, K. & Jorgenson, J. W. 2001.
    <doi:10.1016/S0021-9673(01)00594-5>). See the vignette for more details and
    suggested workflow.
License: GPL (>= 2)
URL: https://ethanbass.github.io/chromatographR/, https://github.com/ethanbass/chromatographR/
BugReports: https://github.com/ethanbass/chromatographR/issues/
Depends: R (>= 3.5.0)
Imports: 
    caTools,
    chromConverter,
    dynamicTreeCut,
    fastcluster,
    Formula,
    fs,
    graphics,
    grDevices,
    lattice,
    methods,
    minpack.lm,
    parallel,
    ptw,
    purrr,
    scales,
    stats,
    utils,
    VPdtw
Suggests: 
    cowplot,
    ggplot2,
    knitr,
    openxlsx,
    pbapply,
    plotly,
    pvclust,
    reticulate,
    rmarkdown,
    rsvg,
    spelling,
    testthat (>= 3.0.0),
    vdiffr
VignetteBuilder: 
    knitr
Config/testthat/edition: 3
Config/Needs/website: ggordiplots, rdryad, vegan, quarto
Encoding: UTF-8
Language: en-US
LazyData: true
LazyDataCompression: xz
RoxygenNote: 7.3.2