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RAId_aPS:采用多种打分函数和谱图特异性统计的 MS/MS 分析。

RAId_aPS: MS/MS analysis with multiple scoring functions and spectrum-specific statistics.

机构信息

National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, Maryland, United States of America.

出版信息

PLoS One. 2010 Nov 16;5(11):e15438. doi: 10.1371/journal.pone.0015438.

Abstract

Statistically meaningful comparison/combination of peptide identification results from various search methods is impeded by the lack of a universal statistical standard. Providing an E-value calibration protocol, we demonstrated earlier the feasibility of translating either the score or heuristic E-value reported by any method into the textbook-defined E-value, which may serve as the universal statistical standard. This protocol, although robust, may lose spectrum-specific statistics and might require a new calibration when changes in experimental setup occur. To mitigate these issues, we developed a new MS/MS search tool, RAId_aPS, that is able to provide spectrum-specific-values for additive scoring functions. Given a selection of scoring functions out of RAId score, K-score, Hyperscore and XCorr, RAId_aPS generates the corresponding score histograms of all possible peptides using dynamic programming. Using these score histograms to assign E-values enables a calibration-free protocol for accurate significance assignment for each scoring function. RAId_aPS features four different modes: (i) compute the total number of possible peptides for a given molecular mass range, (ii) generate the score histogram given a MS/MS spectrum and a scoring function, (iii) reassign E-values for a list of candidate peptides given a MS/MS spectrum and the scoring functions chosen, and (iv) perform database searches using selected scoring functions. In modes (iii) and (iv), RAId_aPS is also capable of combining results from different scoring functions using spectrum-specific statistics. The web link is http://www.ncbi.nlm.nih.gov/CBBresearch/Yu/raid_aps/index.html. Relevant binaries for Linux, Windows, and Mac OS X are available from the same page.

摘要

统计学上有意义的比较/组合各种搜索方法的肽鉴定结果受到缺乏通用统计标准的阻碍。我们之前提供了一个 E 值校准协议,证明了将任何方法报告的分数或启发式 E 值转换为教科书中定义的 E 值的可行性,这可以作为通用统计标准。该协议虽然稳健,但可能会丢失特定于谱的统计信息,并且当实验设置发生变化时可能需要新的校准。为了解决这些问题,我们开发了一种新的 MS/MS 搜索工具,RAId_aPS,它能够为加和评分函数提供特定于谱的数值。从 RAId 评分、K 评分、Hyperscore 和 XCorr 中选择一组评分函数,RAId_aPS 使用动态编程生成所有可能肽的相应得分直方图。使用这些得分直方图分配 E 值可以为每个评分函数进行无校准的准确显着性分配协议。RAId_aPS 具有四种不同的模式:(i)计算给定分子量范围内可能的肽总数,(ii)生成给定 MS/MS 谱和评分函数的得分直方图,(iii)给定 MS/MS 谱和选择的评分函数为候选肽列表重新分配 E 值,以及 (iv)使用选定的评分函数进行数据库搜索。在模式 (iii) 和 (iv) 中,RAId_aPS 还能够使用特定于谱的统计信息组合来自不同评分函数的结果。该网络链接是 http://www.ncbi.nlm.nih.gov/CBBresearch/Yu/raid_aps/index.html。来自同一页面的适用于 Linux、Windows 和 Mac OS X 的相关二进制文件。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8bbf/2982831/6af7da9e8ca8/pone.0015438.g001.jpg

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