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

Latha, Indu; Reichenbach, Stephen E.; Qing, Tao

doi:10.1016/j.chroma.2011.07.052

Cited by 34 publications

(27 citation statements)

References 20 publications

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“…This algorithm is capable of foreseeing the movements of this rain and consequently delineates the peaks from an image [8]. Conceptually, the algorithm finds the highest peak and after that it will identify the neighbouring pixels until reaching the background [42]. After the detection is complete, each 2D peak identified is, in fact, a group of pixels.…”

Section: Inverted Watershed Algorithmmentioning

confidence: 98%

“…Such a high percentage value could be a discouraging factor for a wider use of such method in Analytical Chemistry. However, Latha et al [42] tested 1000 cases for each set of parameter values, in order to compare the detection performance in both algorithms after a skew correction for various parameters, such as, different levels of noise, peak widths, and retention-time. The experiments allowed concluding that after a skew correction, the inverted watershed algorithm showed better results than the two-step algorithm.…”

Section: Inverted Watershed Algorithmmentioning

confidence: 99%

“…This is an iterative and powerful method that has already been proven useful in deconvolution and quantification in 2D-chromatography [7,17,19,42,[44][45][46][47][48][49][50][51][52][53][54][55]. The PARAFAC model applied to a three-way data array can be described as follows:…”

Section: Parallel Factor Analysis Modelmentioning

confidence: 99%

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Trends in data processing of comprehensive two-dimensional chromatography: State of the art

Matos

Duarte

2012

Journal of Chromatography B

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Section: Inverted Watershed Algorithmmentioning

confidence: 98%

Section: Inverted Watershed Algorithmmentioning

confidence: 99%

See 1 more Smart Citation

Trends in data processing of comprehensive two-dimensional chromatography: State of the art

Matos

Duarte

2012

Journal of Chromatography B

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“…This has motivated a number of groups to develop and study alternatives that are more effective in the 2D case (Allen et al, 2012;Latha et al, 2011;Vivó-Truyols and Janssen, 2010). Peak finding is complicated by the fact that in 2D chromatograms we are interested in the evolution of the detector signal in two dimensions rather than a single dimension.…”

Section: Data Processingdpeak Finding and Integrationmentioning

confidence: 99%

Theory and Practice of UHPLC and UHPLC–MS

Guillarme

Veuthey

2017

Handbook of Advanced Chromatography /Mass Spectrometry Techniques

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“…19 Then, the two-dimensional blob-peaks were detected using the Drain Algorithm, 7 which automatically performs true two-dimensional peak detection. 20 2. Template construction and matching.…”

Section: ■ Experimental Proceduresmentioning

confidence: 99%

Reliable Peak Selection for Multisample Analysis with Comprehensive Two-Dimensional Chromatography

et al. 2013

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Comprehensive two-dimensional chromatography is a powerful technology for analyzing the patterns of constituent compounds in complex samples, but matching chromatographic features for comparative analysis across large sample sets is difficult. Various methods have been described for pairwise peak matching between two chromatograms, but the peaks indicated by these pairwise matches commonly are incomplete or inconsistent across many chromatograms. This paper describes a new, automated method for postprocessing the results of pairwise peak matching to address incomplete and inconsistent peak matches and thereby select chromatographic peaks that reliably correspond across many chromatograms. Reliably corresponding peaks can be used both for directly comparing relative compositions across large numbers of samples and for aligning chromatographic data for comprehensive comparative analyses. To select reliable features for a set of chromatograms, the Consistent Cliques Method (CCM) represents all peaks from all chromatograms and all pairwise peak matches in a graph, finds the maximal cliques, and then combines cliques with shared peaks to extract reliable features. The parameters of CCM are the minimum number of chromatograms with complete pairwise peak matches and the desired number of reliable peaks. A particular threshold for the minimum number of chromatograms with complete pairwise matches ensures that there are no conflicts among the pairwise matches for reliable peaks. Experimental results with samples of complex bio-oils analyzed by comprehensive two-dimensional gas chromatography (GCxGC) coupled with mass spectrometry (GCxGC−MS) indicate that CCM provides a good foundation for comparative analysis of complex chemical mixtures.

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

Cited by 34 publications

References 20 publications

Trends in data processing of comprehensive two-dimensional chromatography: State of the art

Trends in data processing of comprehensive two-dimensional chromatography: State of the art

Theory and Practice of UHPLC and UHPLC–MS

Reliable Peak Selection for Multisample Analysis with Comprehensive Two-Dimensional Chromatography

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