Within the feature extraction process in high-resolution mass spectrometry (HRMS), we focused on the identification of EICs-Extracted Ion Chromatograms. A proposed algorithm tuned with its default parameters yielded EIC matrices which recovered most of the 836 reference features identified within a set of public and fully described Orbitrap data, already benchmarked with XCMS, MZmine2, MS-Dial and Compound Discoverer. A good accuracy on the calculation of the m/z values was also observed. Tools are available on the Galaxy Test Toolshed.

中文翻译：

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EIC  + ，一种用于在高分辨率质谱中自动和无监督提取离子色谱图的算法

在高分辨率质谱 (HRMS) 的特征提取过程中，我们专注于 EIC 提取离子色谱图的鉴定。使用默认参数调整的拟议算法产生了 EIC 矩阵，该矩阵恢复了一组公开且完整描述的 Orbitrap 数据中识别的大部分 836 个参考特征，这些数据已经用 XCMS、MZmine2、MS-Dial 和 Compound Discoverer 进行了基准测试。还观察到m / z值的计算具有良好的准确性。Galaxy Test Toolshed 上提供了工具。