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DESCRIPTION
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DESCRIPTION
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Package: squallms
Type: Package
Title: Speedy quality assurance via lasso labeling for LC-MS data
Version: 0.99.6
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 (>= 3.5.0)
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