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MsQuality

Bioc current

MsQuality - Quality metric calculation from Spectra, MsExperiment and Chromatograms objects

v1.12.0 · software · GPL-3

Release Lineage

Entered 3.17 · Apr 26, 2023

Current · Requires R 4.6

1.0 In 7 of 49 releases 3.23

Description

The MsQuality provides functionality to calculate quality metrics for mass spectrometry-derived, spectral data at the per-sample level. MsQuality relies on the mzQC framework of quality metrics defined by the Human Proteom Organization-Proteomics Standards Initiative (HUPO-PSI). These metrics quantify the quality of spectral raw files using a controlled vocabulary. The package is especially addressed towards users that acquire mass spectrometry data on a large scale (e.g. data sets from clinical settings consisting of several thousands of samples). The MsQuality package allows to calculate low-level quality metrics that require minimum information on mass spectrometry data: retention time, m/z values, and associated intensities. MsQuality relies on the Spectra package, or alternatively the MsExperiment package, and its infrastructure to store spectral data. Additionally, MsQuality supports Chromatograms objects from the Chromatograms package for chromatographic quality metrics.

Test coverage

Line coverage

Expression

Tests / Examples

Functions

55 49 exported

Complexity

5.2 avg / 16 max

Call network

55 nodes / 46 edges

Test coverage is not measured for Bioconductor packages; nodes fall back to a neutral fill.

Loading call graph…

Lowest coverage

Per-function coverage is not measured for this package yet.

Code

Structure

Lines of code

14,810

Files

81

Compiled share

0%

Has compiled src

No

Language breakdown

R 5,479 (37%)Tests 3,902 (26.3%)Docs 4,234 (28.6%)Vignettes 1,195 (8.1%)

API

Exported functions

49

Internal functions

6

Recent export changes

v3.23+16 baselineIntensity, calculateMetricsFromChromatograms, calculateMetricsFromOneSampleChromatograms +13 more
v3.20+1 ticQuantileRtFraction  −1 ticQuartersRtFraction

Testing & CI

Has tests

Yes

Test-to-code ratio

0.71

testthat edition

CI present

Yes

CI type

["github-actions"]

PR gated

Yes

Docs

Roxygen coverage

100%

Health & Security signals

Informational signals; not verdicts.

on.exit coverage

Unsafe pattern score

0

Dep constraint coverage

100%

Secret pattern count

0

Bundled 3rd-party code

2 items

Portability & License

Min R version

4.2.0

System requirements

C++ standard

License

GPL-3

License flags

SPDX valid, OSI approved

History

Versions

7

First release

2023-04-25

Latest release

2026-04-28

Avg cadence

189 days

Cold removal rate

100%

Dep drift

9

LOC over versions

v3.17: 6,869 LOCv3.18: 10,897 LOCv3.19: 10,898 LOCv3.20: 10,914 LOCv3.21: 10,914 LOCv3.22: 10,917 LOCv3.23: 14,810 LOC

Per-file churn detail lives in the source pipeline: https://github.com/r-observatory/bioc-code-metrics.

Documentation

Documentation
READMEYes · 430 wordsVignettesYes · dynamicpkgdown siteNoNEWSNoCode of conductNoContributing guideNo
Examples that run
100%
Documented parameters
100%
Return-value docs
100%
References docs
6%

Topics

People

Cite

Cite this package

Run in R for the authors' preferred citation:

citation("MsQuality")
Naake, T., Hecht, H., Louail, P., & Rainer, J. (2026). MsQuality: MsQuality - Quality metric calculation from Spectra, MsExperiment and Chromatograms objects (Version 1.12.0) [Computer software]. https://bioconductor.org/packages/MsQuality

This is what citation() produces when a package has no citation file of its own. If it prints something else, use that.

Cite the R Observatory

For a number measured here: a download total, a coverage figure, an archival date.

APA

Balamuta, J. J. (2026). R Observatory: Metrics for MsQuality version 1.12.0 [Data set]. HJJB, LLC. Data release v2026-08-22. https://doi.org/10.5281/zenodo.21843040

From data release v2026-08-22, which the citation names so these numbers can be found later. More on citing and the projects behind them.

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