Comparative analysis of peak-detection techniques for comprehensive two-dimensional chromatography

作     者：Latha, Indu Reichenbach, Stephen E. Tao, Qingping 

作者机构：Univ Nebraska Dept Comp Sci & Engn Lincoln NE 68588 USA GC Image LLC Lincoln NE 68505 USA 

出 版 物：《JOURNAL OF CHROMATOGRAPHY A》 (J. Chromatogr. A)

年 卷 期：2011年第1218卷第38期

页      面：6792-6798页

核心收录：

学科分类：0710[理学-生物学] 081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070302[理学-分析化学] 0703[理学-化学] 

基　　金：Nebraska Center for Energy Sciences Research at the University of Nebraska - Lincoln U.S. National Science Foundation [IIP-1013180] Directorate For Engineering Div Of Industrial Innovation & Partnersh Funding Source: National Science Foundation 

主　　题：Two-dimensional chromatography Comprehensive two-dimensional gas chromatography (GCxGC) Chemometrics Peak detection Watershed algorithm Two-step peak detection 

摘      要：Comprehensive two-dimensional gas chromatography (GCxGC) is a powerful technology for separating complex samples. The typical goal of GCxGC peak detection is to aggregate data points of analyte peaks based on their retention times and intensities. Two techniques commonly used for two-dimensional peak detection are the two-step algorithm and the watershed algorithm. A recent study [4] compared the performance of the two-step and watershed algorithms for GCxGC data with retention-time shifts in the second-column separations. In that analysis, the peak retention-time shifts were corrected while applying the two-step algorithm but the watershed algorithm was applied without shift correction. The results indicated that the watershed algorithm has a higher probability of erroneously splitting a single two-dimensional peak than the two-step approach. This paper reconsiders the analysis by comparing peak-detection performance for resolved peaks after correcting retention-time shifts for both the two-step and watershed algorithms. Simulations with wide-ranging conditions indicate that when shift correction is employed with both algorithms, the watershed algorithm detects resolved peaks with greater accuracy than the two-step method. (C) 2011 Elsevier B.V. All rights reserved.