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

Brings Orbitrap Mass Spectrometry Data to Life; Fast and Colorful

Bioconductor version: Development (3.20)

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))

# The following initializes usage of Bioc devel


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


Reference Manual PDF


biocViews Infrastructure, MassSpectrometry, Metabolomics, Proteomics, ShinyApps, Software
Version 1.1.1
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.

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macOS Binary (x86_64) rawDiag_1.1.1.tgz
macOS Binary (arm64) rawDiag_1.1.1.tgz
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