Bioc2026 Registration Open!

rawDiag

This is the released version of rawDiag; for the devel version, see rawDiag.

Brings Orbitrap Mass Spectrometry Data to Life; Fast and Colorful


Bioconductor version: Release (3.23)

Optimizing methods for liquid chromatography coupled to mass spectrometry (LC-MS) poses a nontrivial challenge. The rawDiag package facilitates rational method optimization by generating MS operator-tailored diagnostic plots of scan-level metadata. The package is designed for use on the R shell or as a Shiny application on the Orbitrap instrument PC.

Author: Christian Panse [aut, cre] ORCID iD ORCID: 0000-0003-1975-3064 , Christian Trachsel [aut], Tobias Kockmann [aut]

Maintainer: Christian Panse <cp at fgcz.ethz.ch>

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

BiocManager::install("rawDiag")

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("rawDiag")
Brings Orbitrap Mass Spectrometry Data to Life; Fast and Colorful HTML R Script
Reference Manual PDF
NEWS Text
INSTALL Text

Details

biocViews Infrastructure, MassSpectrometry, Metabolomics, Proteomics, ShinyApps, Software
Version 1.8.0
In Bioconductor since BioC 3.19 (R-4.4) (2.5 years)
License GPL-3
Depends R (>= 4.4)
Imports dplyr, ggplot2 (>= 3.4), grDevices, hexbin, htmltools, BiocManager, BiocParallel, rawrr(>= 1.15.5), rlang, reshape2, scales, shiny (>= 1.5), stats, utils
System Requirements
URL https://github.com/fgcz/rawDiag/
Bug Reports https://github.com/fgcz/rawDiag/issues
See More
Suggests BiocStyle(>= 2.28), ExperimentHub, tartare, knitr, testthat
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 rawDiag_1.8.0.tar.gz
Windows Binary (x86_64)
macOS Binary (big-sur-x86_64) rawDiag_1.8.0.tgz
macOS Binary (sonoma-arm64) rawDiag_1.8.0.tgz
Source Repository git clone https://git.bioconductor.org/packages/rawDiag
Source Repository (Developer Access) git clone git@git.bioconductor.org:packages/rawDiag
Bioc Package Browser https://code.bioconductor.org/browse/rawDiag/
Package Short Url https://bioconductor.org/packages/rawDiag/
Package Downloads Report Download Stats