Department of Computer Science, University of Antwerp, 2020 Antwerp, Belgium.
Biomedical Informatics Network Antwerpen (biomina), 2020 Antwerp, Belgium.
J Proteome Res. 2023 Feb 3;22(2):625-631. doi: 10.1021/acs.jproteome.2c00632. Epub 2023 Jan 23.
spectrum_utils is a Python package for mass spectrometry data processing and visualization. Since its introduction, spectrum_utils has grown into a fundamental software solution that powers various applications in proteomics and metabolomics, ranging from spectrum preprocessing prior to spectrum identification and machine learning applications to spectrum plotting from online data repositories and assisting data analysis tasks for dozens of other projects. Here, we present updates to spectrum_utils, which include new functionality to integrate mass spectrometry community data standards, enhanced mass spectral data processing, and unified mass spectral data visualization in Python. spectrum_utils is freely available as open source at https://github.com/bittremieux/spectrum_utils.
spectrum_utils 是一个用于质谱数据分析和可视化的 Python 包。自推出以来,spectrum_utils 已经发展成为一个基本的软件解决方案,为蛋白质组学和代谢组学中的各种应用提供支持,包括在进行谱图识别和机器学习应用之前对谱图进行预处理,以及从在线数据存储库中绘制谱图,并为其他数十个项目的数据分析任务提供帮助。在这里,我们介绍了 spectrum_utils 的更新,其中包括集成质谱社区数据标准、增强的质谱数据处理以及在 Python 中统一的质谱数据可视化的新功能。spectrum_utils 可在 https://github.com/bittremieux/spectrum_utils 上免费获取,作为开源软件使用。