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

Comprehensive two-dimensional gas chromatography (GC×GC) is a powerful technology for separating complex samples. The typical goal of GC×GC peak detection is to aggregate data points of analyte peaks based on their retention times and intensities. Two techniques commonly used for two-dimensional pea...

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Vydáno v:	Journal of Chromatography A Ročník 1218; číslo 38; s. 6792 - 6798
Hlavní autoři:	Latha, Indu, Reichenbach, Stephen E., Tao, Qingping
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	Amsterdam Elsevier B.V 23.09.2011 Elsevier
Témata:	Aggregates Algorithms Analytical chemistry Chemistry Chemometrics Chromatographic methods and physical methods associated with chromatography Chromatography Chromatography, Gas - instrumentation Chromatography, Gas - methods comprehensive two-dimensional gas chromatography Comprehensive two-dimensional gas chromatography (GC×GC) Computer simulation Data points Exact sciences and technology Gas chromatographic methods Peak detection probability Splitting Two dimensional Two-dimensional chromatography Two-step peak detection Watershed algorithm Watersheds Peak detection Comprehensive two-dimensional gas chromatography (GC×GC) Two-dimensional chromatography Watershed algorithm Two-step peak detection Chemometrics Peak resolution Two dimensional chromatography Theoretical study chromatography (GC×GC) Gas chromatography Comprehensive two-dimensional gas Numerical simulation Comparative study
ISSN:	0021-9673, 1873-3778, 1873-3778
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Popis
Shrnutí:	Comprehensive two-dimensional gas chromatography (GC×GC) is a powerful technology for separating complex samples. The typical goal of GC×GC 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 GC×GC 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.
Bibliografie:	http://dx.doi.org/10.1016/j.chroma.2011.07.052 ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 ObjectType-Article-2 ObjectType-Feature-1
ISSN:	0021-9673 1873-3778 1873-3778
DOI:	10.1016/j.chroma.2011.07.052