Comparison of public peak detection algorithms for MALDI mass spectrometry data analysis.

Comparison of public peak detection algorithms for MALDI mass spectrometry data analysis.
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DOI:
10.1186/1471-2105-10-4
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发表时间:
2009-01-06
期刊:
影响因子:
3
通讯作者:
Yu W
Yu W
中科院分区:
生物学4区
文献类型:
--
作者:
Yang C;He Z;Yu W

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在基于质谱(MS)的蛋白质组数据分析中,峰检测是后续分析的重要步骤。最近,在各种峰值检测算法的开发中已经有了显著的进展。然而,无论是一个全面的调查,也没有这些算法的实验比较。本文的主要目的是提供这样一个调查,并比较性能的单谱为基础的峰值检测方法。通常,我们可以将峰值检测过程分解为三个后续部分:平滑、基线校正和峰值查找。我们首先根据在不同阶段使用的技术对现有的峰值检测算法进行分类。这种分类揭示了现有峰值检测算法之间的差异和相似之处。然后,我们选择了五个典型的峰值检测算法进行了全面的实验研究,使用模拟数据和真实的MALDI MS数据。比较结果表明,连续小波基算法提供了最好的平均性能。
In mass spectrometry (MS) based proteomic data analysis, peak detection is an essential step for subsequent analysis. Recently, there has been significant progress in the development of various peak detection algorithms. However, neither a comprehensive survey nor an experimental comparison of these algorithms is yet available. The main objective of this paper is to provide such a survey and to compare the performance of single spectrum based peak detection methods. In general, we can decompose a peak detection procedure into three consequent parts: smoothing, baseline correction and peak finding. We first categorize existing peak detection algorithms according to the techniques used in different phases. Such a categorization reveals the differences and similarities among existing peak detection algorithms. Then, we choose five typical peak detection algorithms to conduct a comprehensive experimental study using both simulation data and real MALDI MS data. The results of comparison show that the continuous wavelet-based algorithm provides the best average performance.
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