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FDRAnalysis:一种用于整合来自多个搜索引擎的串联质谱鉴定结果的分析工具。

FDRAnalysis: a tool for the integrated analysis of tandem mass spectrometry identification results from multiple search engines.

机构信息

Faculty of Life Sciences, University of Manchester, Manchester M13 9PT, United Kingdom.

出版信息

J Proteome Res. 2011 Apr 1;10(4):2088-94. doi: 10.1021/pr101157s. Epub 2011 Feb 21.

Abstract

Confident identification of peptides via tandem mass spectrometry underpins modern high-throughput proteomics. This has motivated considerable recent interest in the postprocessing of search engine results to increase confidence and calculate robust statistical measures, for example through the use of decoy databases to calculate false discovery rates (FDR). FDR-based analyses allow for multiple testing and can assign a single confidence value for both sets and individual peptide spectrum matches (PSMs). We recently developed an algorithm for combining the results from multiple search engines, integrating FDRs for sets of PSMs made by different search engine combinations. Here we describe a web-server and a downloadable application that makes this routinely available to the proteomics community. The web server offers a range of outputs including informative graphics to assess the confidence of the PSMs and any potential biases. The underlying pipeline also provides a basic protein inference step, integrating PSMs into protein ambiguity groups where peptides can be matched to more than one protein. Importantly, we have also implemented full support for the mzIdentML data standard, recently released by the Proteomics Standards Initiative, providing users with the ability to convert native formats to mzIdentML files, which are available to download.

摘要

串联质谱通过可靠识别肽段,为现代高通量蛋白质组学提供支撑。这极大地激发了人们对搜索结果后处理的兴趣,目的是提高可信度并计算稳健的统计量,例如使用诱饵数据库计算错误发现率(FDR)。基于 FDR 的分析可实现多重检验,并可为集合和单个肽段谱匹配(PSM)分配单个置信值。我们最近开发了一种用于合并多个搜索引擎结果的算法,整合了不同搜索引擎组合生成的 PSM 集合的 FDR。在此,我们描述了一个网络服务器和一个可下载的应用程序,为蛋白质组学社区提供了常规的支持。该网络服务器提供了一系列输出,包括信息图,以评估 PSM 的可信度和任何潜在的偏差。底层管道还提供了一个基本的蛋白质推断步骤,将 PSM 整合到蛋白质模糊组中,其中肽段可以匹配到多个蛋白质。重要的是,我们还全面支持 Proteomics Standards Initiative 最近发布的 mzIdentML 数据标准,为用户提供将原始格式转换为 mzIdentML 文件的能力,这些文件可下载。

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Combining results of multiple search engines in proteomics.在蛋白质组学中整合多个搜索引擎的结果。
Mol Cell Proteomics. 2013 Sep;12(9):2383-93. doi: 10.1074/mcp.R113.027797. Epub 2013 May 29.

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