Department of Biomedical Informatics, Vanderbilt University Medical Center, Nashville, Tennessee 37232-8575, United States.
Anal Chem. 2012 Jul 17;84(14):5845-50. doi: 10.1021/ac300629p. Epub 2012 Jun 27.
LC-MS/MS-based proteomics studies rely on stable analytical system performance that can be evaluated by objective criteria. The National Institute of Standards and Technology (NIST) introduced the MSQC software to compute diverse metrics from experimental LC-MS/MS data, enabling quality analysis and quality control (QA/QC) of proteomics instrumentation. In practice, however, several attributes of the MSQC software prevent its use for routine instrument monitoring. Here, we present QuaMeter, an open-source tool that improves MSQC in several aspects. QuaMeter can directly read raw data from instruments manufactured by different vendors. The software can work with a wide variety of peptide identification software for improved reliability and flexibility. Finally, QC metrics implemented in QuaMeter are rigorously defined and tested. The source code and binary versions of QuaMeter are available under Apache 2.0 License at http://fenchurch.mc.vanderbilt.edu.
基于 LC-MS/MS 的蛋白质组学研究依赖于稳定的分析系统性能，可以通过客观标准进行评估。美国国家标准与技术研究院（NIST）引入了 MSQC 软件，用于从实验性 LC-MS/MS 数据中计算各种指标，从而实现蛋白质组学仪器的质量分析和质量控制（QA/QC）。然而，在实践中，MSQC 软件的几个属性阻止了其用于常规仪器监测。在这里，我们介绍了 QuaMeter，这是一个开源工具，在几个方面改进了 MSQC。QuaMeter 可以直接从不同供应商制造的仪器读取原始数据。该软件可以与各种肽鉴定软件配合使用，以提高可靠性和灵活性。最后，QuaMeter 中实施的 QC 指标经过了严格的定义和测试。QuaMeter 的源代码和二进制版本可在 Apache 2.0 许可证下从 http://fenchurch.mc.vanderbilt.edu 获得。
