spectrum_utils: A Python']Python Package for Mass Spectrometry Data Processing and Visualization

被引:40
作者
Bittremieux, Wout [1 ,2 ,3 ]
机构
[1] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, La Jolla, CA 92093 USA
[2] Univ Antwerp, Dept Math & Comp Sci, B-2020 Antwerp, Belgium
[3] Biomed Informat Network Antwerpen Biomina, B-2020 Antwerp, Belgium
关键词
OPENMS;
D O I
10.1021/acs.analchem.9b04884
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
Given the wide diversity in applications of biological mass spectrometry, custom data analyses are often needed to fully interpret the results of an experiment. Such bioinformatics scripts necessarily include similar basic functionality to read mass spectral data from standard file formats, process it, and visualize it. Rather than having to reimplement this functionality, to facilitate this task, spectrum_utils is a Python package for mass spectrometry data processing and visualization. Its high-level functionality enables developers to quickly prototype ideas for computational mass spectrometry projects in only a few lines of code. Notably, the data processing functionality is highly optimized for computational efficiency to be able to deal with the large volumes of data that are generated during mass spectrometry experiments. The visualization functionality makes it possible to easily produce publication-quality figures as well as interactive spectrum plots for inclusion on web pages. spectrum_utils is available for Python 3.6+, includes extensive online documentation and examples, and can be easily installed using conda.
引用
收藏
页码:659 / 661
页数:3
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