pyOpenMS-viz:Streamlining Mass Spectrometry DataVisualization with pandas

Mass spectrometry data visualization is essential for a wide range of applications, such as validation of workflows and results, benchmarking new algorithms, and creating comprehensive quality control reports. Python offers a popular and powerful framework for analyzing and visualizing multidimensional data; however, generating commonly used mass spectrometry plots in Python can be cumbersome. Here we present pyOpenMS-viz, a versatile, unified framework for generating mass spectrometry plots. pyOpenMS-viz directly extends pandas DataFrame plotting for generating figures in a single line of code. This implementation enables easy integration across various Python-based mass spectrometry tools that already use pandas DataFrames to store MS data. pyOpenMS-viz is open-source under a BSD 3-Clause license and freely available at https://github.com/OpenMS/pyopenms_viz.

Publication Details

Journal
Figshare
Published
2025-02-28
DOI
https://doi.org/10.1021/acs.jproteome.4c00873.s001
Primary Topic
Mass Spectrometry Techniques and Applications
Type
article
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article

pyOpenMS-viz:Streamlining Mass Spectrometry DataVisualization with pandas

Figshare
Mass Spectrometry Techniques and Applications
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pyOpenMS-viz:Streamlining Mass Spectrometry DataVisualization with pandas

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Abstract

Mass spectrometry data visualization is essential for a wide range of applications, such as validation of workflows and results, benchmarking new algorithms, and creating comprehensive quality control reports. Python offers a popular and powerful framework for analyzing and visualizing multidimensional data; however, generating commonly used mass spectrometry plots in Python can be cumbersome. Here we present pyOpenMS-viz, a versatile, unified framework for generating mass spectrometry plots. pyOpenMS-viz directly extends pandas DataFrame plotting for generating figures in a single line of code. This implementation enables easy integration across various Python-based mass spectrometry tools that already use pandas DataFrames to store MS data. pyOpenMS-viz is open-source under a BSD 3-Clause license and freely available at https://github.com/OpenMS/pyopenms_viz.

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Mass Spectrometry Techniques and Applications
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