Bauer Chris, Cramer Rainer, Schuchhardt Johannes
MicroDiscovery GmbH, Berlin, Germany.
Methods Mol Biol. 2011;696:341-52. doi: 10.1007/978-1-60761-987-1_22.
Peak picking is an early key step in MS data analysis. We compare three commonly used approaches to peak picking and discuss their merits by means of statistical analysis. Methods investigated encompass signal-to-noise ratio, continuous wavelet transform, and a correlation-based approach using a Gaussian template. Functionality of the three methods is illustrated and discussed in a practical context using a mass spectral data set created with MALDI-TOF technology. Sensitivity and specificity are investigated using a manually defined reference set of peaks. As an additional criterion, the robustness of the three methods is assessed by a perturbation analysis and illustrated using ROC curves.
峰检测是质谱数据分析中的一个早期关键步骤。我们比较了三种常用的峰检测方法，并通过统计分析讨论了它们的优点。所研究的方法包括信噪比、连续小波变换以及使用高斯模板的基于相关性的方法。在使用基质辅助激光解吸电离飞行时间（MALDI-TOF）技术创建的质谱数据集的实际背景下，对这三种方法的功能进行了说明和讨论。使用手动定义的峰参考集研究了灵敏度和特异性。作为一个附加标准，通过扰动分析评估了这三种方法的稳健性，并使用ROC曲线进行了说明。
