Type: Package
Package: chromatographR
Title: Chromatographic Data Analysis Toolset
Version: 0.4.3
Authors@R: 
    person("Ethan", "Bass", , "ethanbass@gmail.com", role = c("aut", "cre"),
           comment = c(ORCID = "0000-0002-6175-6739"))
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
    <http://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/
BugReports: https://github.com/ethanbass/chromatographR/issues
Depends: R (>= 3.5.0)
Imports: chromConverter, dynamicTreeCut, fastcluster, graphics,
        grDevices, lattice, methods, minpack.lm, parallel, ptw,
        pvclust, scales, smoother, stats, utils
Suggests: knitr, rmarkdown, spelling, testthat (>= 3.0.0), vdiffr,
        VPdtw
VignetteBuilder: knitr
Config/testthat/edition: 3
Encoding: UTF-8
Language: en-US
LazyData: true
LazyDataCompression: xz
RoxygenNote: 7.2.1
NeedsCompilation: no
Packaged: 2022-08-22 15:51:16 UTC; ethanbass
Author: Ethan Bass [aut, cre] (<https://orcid.org/0000-0002-6175-6739>)
Repository: CRAN
Date/Publication: 2022-08-22 19:00:05 UTC
