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

机译:MALDI质谱数据分析公共峰值检测算法的比较

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Background 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. Results 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. Conclusion The results of comparison show that the continuous wavelet-based algorithm provides the best average performance.
机译:背景技术基于质谱(MS)的蛋白质组学分析,峰值检测是后续分析的基本步骤。最近,在各种峰值检测算法的发展中存在显着进展。但是,既没有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的调查,并比较单光谱基峰检测方法的性能。结果一般来说,我们可以将峰值检测程序分解为三个随后的部分:平滑,基线校正和峰值发现。我们首先根据不同阶段使用的技术进行分类现有的峰值检测算法。这种分类揭示了现有峰值检测算法之间的差异和相似性。然后,我们选择五个典型的峰值检测算法,使用模拟数据和真正的MALDI MS数据进行全面的实验研究。结论比较结果表明,连续小波的算法提供了最佳平均性能。

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