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Brings Orbitrap Mass Spectrometry Data to Life; Fast and Colorful

Bioconductor version: Release (3.19)

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] , Christian Trachsel [aut], Tobias Kockmann [aut]

Maintainer: Christian Panse <cp at>

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


To install this package, start R (version "4.4") and enter:

if (!require("BiocManager", quietly = TRUE))


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


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

Brings Orbitrap Mass Spectrometry Data to Life; Fast and Colorful HTML R Script
Reference Manual PDF


biocViews Infrastructure, MassSpectrometry, Metabolomics, Proteomics, ShinyApps, Software
Version 1.0.0
In Bioconductor since BioC 3.19 (R-4.4) (< 6 months)
License GPL-3
Depends R (>= 4.3)
Imports dplyr, ggplot2 (>= 3.4), grDevices, hexbin, htmltools, BiocManager, BiocParallel, rawrr(>= 1.10), rlang, reshape2, scales, shiny (>= 1.5), stats, utils
System Requirements mono 4.x or higher on OSX / Linux, .NET 4.x or higher on Windows, 'msbuild' and 'nuget' available in the path
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Suggests BiocStyle(>= 2.28), ExperimentHub, tartare, knitr, testthat
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Follow Installation instructions to use this package in your R session.

Source Package rawDiag_1.0.0.tar.gz
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macOS Binary (x86_64) rawDiag_1.0.0.tgz
macOS Binary (arm64) rawDiag_1.0.0.tgz
Source Repository git clone
Source Repository (Developer Access) git clone
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