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squallms

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

All versions 3.24 (devel), 3.23 (release), 3.22, 3.21, 3.20

Speedy quality assurance via lasso labeling for LC-MS data


Bioconductor version: Development (3.24)

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")):

William Kumler. squallms: Speedy quality assurance via lasso labeling for LC-MS data. doi:10.18129/B9.bioc.squallms, R package version 1.7.0, https://bioconductor.org/packages/squallms.

Generated from the package metadata; it may differ from the package's own citation.

Installation

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

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

## The following initializes the development version of Bioconductor
BiocManager::install(version = "devel")

BiocManager::install("squallms")

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

Documentation

To view documentation for the version of this package installed in your system, start R and enter:

browseVignettes("squallms")
Introduction to squallms HTML R Script
Reference ManualPDF
NEWSText
LICENSEText

Details

biocViews Classification, Clustering, FeatureExtraction, Lipidomics, MassSpectrometry, Metabolomics, Preprocessing, PrincipalComponent, Proteomics, QualityControl, Regression, ShinyApps, Software, Visualization
Version1.7.0
In Bioconductor sinceBioC 3.20 (R-4.4) (2 years)
License MIT + file LICENSE
Depends R (>= 4.1.0)
Imports xcms, MSnbase, MsExperiment, RaMS, dplyr, tidyr, tibble, ggplot2, shiny, plotly, data.table, caret, stats, graphics, utils, keys
System Requirements
URLhttps://github.com/wkumler/squallms
Bug Reportshttps://github.com/wkumler/squallms/issues
See More
Suggests knitr, rmarkdown, BiocStyle, testthat (>= 3.0.0)
Linking To
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Depends On Me
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Build Report Build Report, r-universe

Package Archives

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

Source Package squallms_1.7.0.tar.gz
Windows Binary (x86_64) squallms_1.7.0.zip
macOS Binary (big-sur-x86_64) squallms_1.7.0.tgz
macOS Binary (sonoma-arm64) squallms_1.7.0.tgz
Source Repositorygit 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/
Package Downloads ReportDownload Stats