Package: squallms
Type: Package
Title: Speedy quality assurance via lasso labeling for LC-MS data
Version: 1.2.0
Authors@R: c(
  person(given = "William", family = "Kumler", email = "wkumler@uw.edu",
         role = c("aut", "cre", "cph"), comment=c(ORCID="0000-0002-5022-8009"))
  )
Description: squallms is a Bioconductor R package that implements a 
  "semi-labeled" approach to untargeted mass spectrometry data. It pulls in raw 
  data from mass-spec files to calculate several metrics that are then used to 
  label MS features in bulk as high or low quality. These metrics of peak quality
  are then passed to a simple logistic model that produces a fully-labeled 
  dataset suitable for downstream analysis. 
License: MIT + file LICENSE
URL: https://github.com/wkumler/squallms
BugReports: https://github.com/wkumler/squallms/issues
Encoding: UTF-8
RoxygenNote: 7.3.1
biocViews: MassSpectrometry, Metabolomics, Proteomics, Lipidomics,
        ShinyApps, Classification, Clustering, FeatureExtraction,
        PrincipalComponent, Regression, Preprocessing, QualityControl,
        Visualization
Depends: R (>= 4.1.0)
Imports: xcms, MSnbase, MsExperiment, RaMS, dplyr, tidyr, tibble,
        ggplot2, shiny, plotly, data.table, caret, stats, graphics,
        utils, keys
Suggests: knitr, rmarkdown, BiocStyle, testthat (>= 3.0.0)
VignetteBuilder: knitr
Config/testthat/edition: 3
git_url: https://git.bioconductor.org/packages/squallms
git_branch: RELEASE_3_21
git_last_commit: 5d4fde2
git_last_commit_date: 2025-04-15
Repository: Bioconductor 3.21
Date/Publication: 2025-04-15
NeedsCompilation: no
Packaged: 2025-04-16 04:01:56 UTC; biocbuild
Author: William Kumler [aut, cre, cph] (ORCID:
    <https://orcid.org/0000-0002-5022-8009>)
Maintainer: William Kumler <wkumler@uw.edu>
Built: R 4.5.0; ; 2025-04-16 15:38:40 UTC; windows
