Bioconductor 3.22 Released

squallms

This is the development version of squallms; for the stable release version, see squallms.

Speedy quality assurance via lasso labeling for LC-MS data


Bioconductor version: Development (3.23)

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.

Author: William Kumler [aut, cre, cph] ORCID iD ORCID: 0000-0002-5022-8009

Maintainer: William Kumler <wkumler at uw.edu>

Citation (from within R, enter citation("squallms")):

Installation

To install this package, start R (version "4.6") and enter:


if (!require("BiocManager", quietly = TRUE))
    install.packages("BiocManager")

# The following initializes usage of Bioc devel
BiocManager::install(version='devel')

BiocManager::install("squallms")

For older versions of R, please refer to the appropriate Bioconductor release.

Documentation

Reference Manual PDF

Details

biocViews Classification, Clustering, FeatureExtraction, Lipidomics, MassSpectrometry, Metabolomics, Preprocessing, PrincipalComponent, Proteomics, QualityControl, Regression, ShinyApps, Software, Visualization
Version 1.5.0
In Bioconductor since BioC 3.20 (R-4.4) (1 year)
License MIT + file LICENSE
Depends R (>= 3.5.0)
Imports xcms, MSnbase, MsExperiment, RaMS, dplyr, tidyr, tibble, ggplot2, shiny, plotly, data.table, caret, stats, graphics, utils, keys
System Requirements
URL https://github.com/wkumler/squallms
Bug Reports https://github.com/wkumler/squallms/issues
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Suggests knitr, rmarkdown, BiocStyle, testthat (>= 3.0.0)
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Package Archives

Follow Installation instructions to use this package in your R session.

Source Package
Windows Binary (x86_64)
macOS Binary (x86_64)
macOS Binary (arm64)
Source Repository git clone https://git.bioconductor.org/packages/squallms
Source Repository (Developer Access) git clone git@git.bioconductor.org:packages/squallms
Package Short Url https://bioconductor.org/packages/squallms/
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