nmRanalysis/DESCRIPTION at master · EMSL-Computing/nmRanalysis · GitHub

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Package: nmRanalysis
Type: Package
Title: User-Friendly GUI for Targeted NMR Profiling
Version: 0.1.0
Authors@R:
    c(person("Javier E.", "Flores", , "javier.flores@pnnl.gov", role = c("aut", "cre"),
            comment = c(ORCID = "YOUR-ORCID-ID")),
      person("Allison", "Thompson", email = "allison.thompson@pnnl.gov", role = c("aut"),
            comment = c(ORCID = "YOUR-ORCID-ID")),
      person("Anastasiya V.", "Prymolenna", , "anastasiya.prymolenna@pnnl.gov", role = c("aut"),
            comment = c(ORCID = "YOUR-ORCID-ID")),
      person("Natalie M.", "Winans", , "natalie.winans@pnnl.gov", role = c("aut"),
            comment = c(ORCID = "0000-0002-5755-7200")))
Description: This package allows for the completion of targeted metabolite nuclear magnetic resonance (NMR) profiling in a semi-automated manner.
  Users may upload experimental NMR spectral data and specify the experimental conditions under which these data were generated/collected. User may additionally
  specify a list of metabolites that they suspect are measured within the collected spectra. These metabolites are queried against an internal
  database containing relevant profiling information for several metabolites under a variety of experimental conditions. Database entries
  that match the requested metabolites and were collected under similar experimental conditions are returned to the user. The user may then
  edit these data as necessary prior to profiling. Once satisfied with any edit(s) made to the profiling data (i.e. fitting parameters), the
  user may initiate profiling and view the resulting metabolite quantifications and fits.
License: GPL (>= 2)
Depends:
  R (>= 4.0.0),
LazyData: TRUE
URL: https://stash.pnnl.gov/projects/NMR/repos/nmranalysis/browse
BugReports: https://code.emsl.pnl.gov/emslc60117/nmranalysis/-/issues
Encoding: UTF-8
VignetteBuilder: knitr
Imports:
    shiny,
    shinyWidgets,
    shinyFeedback,
    shinycssloaders,
    rDolphin,
    dplyr,
    magrittr,
    ggplot2,
    tidyr,
    stringr,
    tools,
    readxl,
    DT,
    plotly,
    trelliscopejs,
    baseline,
    grDevices,
    utils,
    lubridate,
    stats,
    rlang,
    plyr,
    purrr,
    tidyselect,
    rjson,
    dbscan,
    data.table,
    tibble,
    DBI,
    RPostgres,
    speaq,
    htmltools,
    minpack.lm,
    reshape2,
    rlist,
    shinyBS,
    parsnip
Suggests:
    knitr,
    rmarkdown,
    testthat (>= 3.0.0)
RoxygenNote: 7.2.0
Config/testthat/edition: 3