Turewicz Michael, Deutsch Eric W
Medizinisches Proteom-Center, Ruhr-Universität Bochum, Bochum, Germany.
Methods Mol Biol. 2011;696:179-203. doi: 10.1007/978-1-60761-987-1_11.
This chapter describes Mass Spectrometry Markup Language (mzML), an XML-based and vendor-neutral standard data format for storage and exchange of mass spectrometer output like raw spectra and peak lists. It is intended to replace its two precursor data formats (mzData and mzXML), which had been developed independently a few years earlier. Hence, with the release of mzML, the problem of having two different formats for the same purposes is solved, and with it the duplicated effort of maintaining and supporting two data formats. The new format has been developed by a broad-based consortium of major instrument vendors, software vendors, and academic researchers under the aegis of the Human Proteome Organisation (HUPO), Proteomics Standards Initiative (PSI), with full participation of the main developers of the precursor formats. This comprehensive approach helped mzML to become a generally accepted standard. Furthermore, the collaborative development insured that mzML has adopted the best features of its precursor formats. In this chapter, we discuss mzML's development history, its design principles and use cases, as well as its main building components. We also present the available documentation, an example file, and validation software for mzML.
本章介绍质谱标记语言（mzML），这是一种基于XML且与供应商无关的标准数据格式，用于存储和交换质谱仪输出结果，如原始光谱和峰列表。它旨在取代其两种前身数据格式（mzData和mzXML），这两种格式是几年前独立开发的。因此，随着mzML的发布，解决了同一目的存在两种不同格式的问题，以及维护和支持两种数据格式的重复工作。新格式由主要仪器供应商、软件供应商和学术研究人员组成的广泛联盟在人类蛋白质组组织（HUPO）蛋白质组学标准倡议（PSI）的支持下开发，前身格式的主要开发者也充分参与其中。这种全面的方法有助于mzML成为普遍接受的标准。此外，合作开发确保mzML采用了其前身格式的最佳特性。在本章中，我们将讨论mzML的发展历史、设计原则和用例，以及其主要构建组件。我们还将介绍mzML的可用文档、示例文件和验证软件。
