High-speed peak matching algorithm for retention time alignment of gas chromatographic data for chemometric analysis
A rapid retention time alignment algorithm was developed as a preprocessing utility to be used prior to chemometric analysis of large datasets of diesel fuel gas chromatographic profiles. Retention time variation from chromatogram-to-chromatogram has been a significant impediment against the use of chemometric techniques in the analysis of chromatographic data due to the inability of current multivariate techniques to correctly model information that shifts from variable to variable within a dataset. The algorithm developed is shown to increase the efficacy of pattern recognition methods applied to a set of diesel fuel chromatograms by retaining chemical selectivity while reducing chromatogram-to-chromatogram retention time variations and to do so on a time scale that makes analysis of large sets of chromatographic data practical.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 15010183
- Report Number(s):
- PNNL-SA-38453; 400480000
- Journal Information:
- Journal of Chromatography A, 996(1-2):141-155, Journal Name: Journal of Chromatography A, 996(1-2):141-155
- Country of Publication:
- United States
- Language:
- English
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