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Chromatograms

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

Infrastructure for Chromatographic Mass Spectrometry Data


Bioconductor version: Development (3.24)

The Chromatograms packages defines an efficient infrastructure for storing and handling of chromatographic mass spectrometry data. It provides different implementations of *backends* to store and represent the data. Such backends can be optimized for small memory footprint or fast data access/processing. A lazy evaluation queue and chunk-wise processing capabilities ensure efficient analysis of also very large data sets.

Author: Johannes Rainer [aut] ORCID iD ORCID: 0000-0002-6977-7147 , Laurent Gatto [aut] ORCID iD ORCID: 0000-0002-1520-2268 , Philippine Louail [aut, cre] (ORCID: ORCID iD ORCID: 0009-0007-5429-6846 , fnd: European Union HORIZON-MSCA-2021 project Grant No. 101073062: HUMAN – Harmonising and Unifying Blood Metabolic Analysis Networks)

Maintainer: Philippine Louail <philippine.louail at outlook.com>

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

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("Chromatograms")
Creating new `ChromBackend` class for Chromatograms HTML R Script
Using and understanding a Chromatograms object HTML R Script
Reference Manual PDF
NEWS Text

Details

biocViews Infrastructure, MassSpectrometry, Metabolomics, Proteomics, Software
Version 1.3.2
In Bioconductor since BioC 3.22 (R-4.5) (1 year)
License Artistic-2.0
Depends BiocParallel, ProtGenerics(>= 1.39.2), R (>= 4.5.0)
Imports data.table, methods, S4Vectors, MsCoreUtils(>= 1.7.5), Spectra
System Requirements
URL https://github.com/RforMassSpectrometry/Chromatograms
Bug Reports https://github.com/RforMassSpectrometry/Chromatograms/issues
See More
Suggests MsDataHub, roxygen2, BiocStyle(>= 2.5.19), testthat, knitr (>= 1.1.0), rmarkdown, mzR(>= 2.41.4), MsBackendMetaboLights(>= 1.3.1), pheatmap, vdiffr, IRanges, RColorBrewer
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Depends On Me
Imports Me MsQuality
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Build Report Build Report

Package Archives

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

Source Package Chromatograms_1.3.2.tar.gz
Windows Binary (x86_64) Chromatograms_1.3.2.zip
macOS Binary (big-sur-x86_64) Chromatograms_1.3.2.tgz
macOS Binary (sonoma-arm64) Chromatograms_1.3.2.tgz
Source Repository git clone https://git.bioconductor.org/packages/Chromatograms
Source Repository (Developer Access) git clone git@git.bioconductor.org:packages/Chromatograms
Bioc Package Browser https://code.bioconductor.org/browse/Chromatograms/
Package Short Url https://bioconductor.org/packages/Chromatograms/
Package Downloads Report Download Stats