Matched filtering with background suppression for improved quality of base peak chromatograms and mass spectra in liquid chromatography-mass spectrometry
Matched filtering with background suppression for improved quality of base peak chromatograms and mass spectra in liquid chromatography-mass spectrometry
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DOI：
10.1016/s0003-2670(01)01574-4
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发表时间：
2002-03-11
影响因子：
6.2
通讯作者：
Markides, KE
中科院分区：
文献类型：
--
作者：
Danielsson, R;Bylund, D;Markides, KE
提出了一种结合匹配滤波和二次微分特性的时域滤波器。滤波器系数由高斯模型峰的二阶导数给出，通过设置与色谱系统相关的两个参数进行控制。推导了该滤波器的基本特性，并将其应用于真实的液相色谱-质谱（LC-MS）数据。该过滤器主要用作快速预处理步骤，对于在700个质量通道上进行320次扫描的质量色谱图，在标准PC上的计算时间为0.6 s。使用过滤数据获得具有改进的峰检测能力的基峰色谱图和用于化合物鉴定的质谱。所描述的滤波器的最显著的效果是由于微分而导致的背景减少，其与匹配滤波器结合可以在保持或甚至改善的信噪比的情况下执行。(C)2002 Elsevier Science B. V.保留所有权利。
A time domain filter that combines the properties of matched filtering and two-fold differentiation is presented. The filter coefficients are given by the second derivative of a Gaussian model peak, controlled by the setting of two parameters related to the chromatographic system. The fundamental characteristics of the filter were derived, and its applicability demonstrated for real liquid chromatography-mass spectrometry (LC-MS) data. The filter is primarily intended as a fast pre-processing step, for a mass chromatogram with 320 scans over 700 mass channels the computation time was 0.6 s on a standard PC. Base peak chromatograms with improved peak detection capability and mass spectra useful for compound identification were obtained with filtered data. The most significant effect of the described filter is background reduction due to the differentiation, which in combination with the matched filter can be performed with maintained or even improved signal-to-noise ratio. (C) 2002 Elsevier Science B.V. All rights reserved.