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使用Jupyter和Python进行计算蛋白质组学

Computational Proteomics with Jupyter and Python.

作者信息

Malmström Lars

机构信息

Institute for Computational Science, University of Zurich, Zurich, Switzerland.

S3IT, University of Zurich, Zurich, Switzerland.

出版信息

Methods Mol Biol. 2019;1977:237-248. doi: 10.1007/978-1-4939-9232-4_15.

Abstract

Proteomics based on mass spectrometry produces complex data in large quantities. The need for flexible computational pipelines, in the context of big data, in proteomics and other areas of science, has prompted the development of computational platforms and libraries that facilitate data analysis and data processing. In this respect, Python appears to be one of the winners among programming languages in terms of popularity and development. This chapter shows how to perform basic tasks using Python and dedicated libraries in a Jupyter framework: from basic search result summarizations to the creation of MS1 chromatograms.

摘要

基于质谱的蛋白质组学产生大量复杂数据。在大数据背景下,蛋白质组学及其他科学领域对灵活计算流程的需求,推动了有助于数据分析和数据处理的计算平台及库的发展。在这方面,就受欢迎程度和发展而言,Python似乎是编程语言中的佼佼者之一。本章展示了如何在Jupyter框架中使用Python和专用库执行基本任务:从基本搜索结果汇总到创建MS1色谱图。

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