质谱法
可视化
化学
计算机科学
色谱法
数据挖掘
作者
Justin Sing,Joshua Charkow,Axel Walter,Mingxuan Gao,Tom David Müller,Wout Bittremieux,Timo Sachsenberg,Hannes Röst
标识
DOI:10.1021/acs.jproteome.4c00873
摘要
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.
科研通智能强力驱动
Strongly Powered by AbleSci AI