Department of Medical Protein Research, VIB, B-9000 Ghent, Belgium.
Mol Cell Proteomics. 2011 Jan;10(1):R110.000133. doi: 10.1074/mcp.R110.000133. Epub 2010 Aug 17.
Mass spectrometry is a fundamental tool for discovery and analysis in the life sciences. With the rapid advances in mass spectrometry technology and methods, it has become imperative to provide a standard output format for mass spectrometry data that will facilitate data sharing and analysis. Initially, the efforts to develop a standard format for mass spectrometry data resulted in multiple formats, each designed with a different underlying philosophy. To resolve the issues associated with having multiple formats, vendors, researchers, and software developers convened under the banner of the HUPO PSI to develop a single standard. The new data format incorporated many of the desirable technical attributes from the previous data formats, while adding a number of improvements, including features such as a controlled vocabulary with validation tools to ensure consistent usage of the format, improved support for selected reaction monitoring data, and immediately available implementations to facilitate rapid adoption by the community. The resulting standard data format, mzML, is a well tested open-source format for mass spectrometer output files that can be readily utilized by the community and easily adapted for incremental advances in mass spectrometry technology.
质谱分析是生命科学中发现和分析的基础工具。随着质谱分析技术和方法的快速发展，提供一种标准化的质谱数据分析输出格式已成为当务之急，这将有助于数据共享和分析。最初，为开发质谱数据分析的标准格式，人们付出了许多努力，从而产生了多种格式，每种格式都基于不同的基本理念。为了解决存在多种格式的问题，供应商、研究人员和软件开发人员以 HUPO PSI 的名义齐聚一堂，制定了一个单一的标准。新的数据格式融合了之前数据格式中许多理想的技术属性，同时增加了许多改进，包括具有验证工具的受控词汇表等功能，以确保格式的一致使用，对选择反应监测数据的更好支持，以及立即可用的实现，以促进社区的快速采用。由此产生的标准数据格式 mzML 是一种经过充分测试的开源质谱仪输出文件格式，可被社区广泛使用，并可轻松适应质谱技术的渐进式发展。
