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MsBackendMetabolomicsWorkbench

This is the development version of MsBackendMetabolomicsWorkbench; to use it, please install the devel version of Bioconductor.

Retrieve Mass Spectrometry Data from Metabolomics Workbench


Bioconductor version: Development (3.24)

Metabolomics Workbench is one of the main public repositories for storage of metabolomics experiments. The MsBackendMetabolomicsWorkbench package provides functionality to retrieve and represent mass spectrometry (MS) data from Metabolomics Workbench. Data files are downloaded and cached locally avoiding repetitive downloads. MS data from metabolomics experiments can thus be directly and seamlessly integrated into R-based analysis workflows with the Spectra and MsBackendMetabolomicsWorkbench package.

Author: Gabriele Tomè [aut, cre] (ORCID: ORCID iD ORCID: 0000-0002-3976-6068 , fnd: MetaRbolomics4Galaxy project (CUP: D53C25001030003) co-funded by the Autonomous Province of Bolzano under the Joint Projects South Tyrol–Germany 2025 program.), Philippine Louail [aut] ORCID iD ORCID: 0009-0007-5429-6846 , Johannes Rainer [aut] ORCID iD ORCID: 0000-0002-6977-7147

Maintainer: Gabriele Tomè <gabriele.tome at eurac.edu>

Citation (from within R, enter citation("MsBackendMetabolomicsWorkbench")):
Seminal Bioconductor project articles:

Huber W, Carey VJ, Gentleman R, Anders S, Carlson M, Carvalho BS, Bravo HC, Davis S, Gatto L, Girke T, Gottardo R, Hahne F, Hansen KD, Irizarry RA, Lawrence M, Love MI, MacDonald J, Obenchain V, Oleś AK, Pagès H, Reyes A, Shannon P, Smyth GK, Tenenbaum D, Waldron L, Morgan M (2015). "Orchestrating high-throughput genomic analysis with Bioconductor." Nature Methods, 12(2), 115–121. doi:10.1038/nmeth.3252.

Gentleman RC, Carey VJ, Bates DM, Bolstad B, Dettling M, Dudoit S, Ellis B, Gautier L, Ge Y, Gentry J, Hornik K, Hothorn T, Huber W, Iacus S, Irizarry R, Leisch F, Li C, Maechler M, Rossini AJ, Sawitzki G, Smith C, Smyth G, Tierney L, Yang JYH, Zhang J (2004). "Bioconductor: open software development for computational biology and bioinformatics." Genome Biology, 5(10), R80. doi:10.1186/gb-2004-5-10-r80.

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("MsBackendMetabolomicsWorkbench")

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("MsBackendMetabolomicsWorkbench")
Retrieve and Use Mass Spectrometry Data from Metabolomics Workbench HTML R Script
Reference Manual PDF
NEWS Text

Details

biocViews DataImport, Infrastructure, MassSpectrometry, Metabolomics, Proteomics, Software
Version 0.99.1
In Bioconductor since BioC 3.24 (R-4.6)
License GPL-3
Depends R (>= 4.2.0), Spectra(>= 1.15.12)
Imports rvest, httr2, curl, ProtGenerics, BiocFileCache, S4Vectors, methods, MsCoreUtils(>= 1.23.9), jsonlite, plyr, tidyr, archive
System Requirements
URL https://github.com/RforMassSpectrometry/MsBackendMetabolomicsWorkbench
Bug Reports https://github.com/RforMassSpectrometry/MsBackendMetabolomicsWorkbench/issues
See More
Suggests testthat, rmarkdown, mzR, knitr, BiocStyle
Linking To
Enhances
Depends On Me
Imports Me
Suggests Me
Links To Me
Build Report Build Report

Package Archives

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

Source Package MsBackendMetabolomicsWorkbench_0.99.1.tar.gz
Windows Binary (x86_64)
macOS Binary (big-sur-x86_64) MsBackendMetabolomicsWorkbench_0.99.1.tgz
macOS Binary (sonoma-arm64) MsBackendMetabolomicsWorkbench_0.99.1.tgz
Source Repository git clone https://git.bioconductor.org/packages/MsBackendMetabolomicsWorkbench
Source Repository (Developer Access) git clone git@git.bioconductor.org:packages/MsBackendMetabolomicsWorkbench
Bioc Package Browser https://code.bioconductor.org/browse/MsBackendMetabolomicsWorkbench/
Package Short Url https://bioconductor.org/packages/MsBackendMetabolomicsWorkbench/
Package Downloads Report Download Stats