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Physical Sciences and Mathematics Commons

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Virginia Commonwealth University

Theses/Dissertations

2012

Background correction

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Investigations Into Background Correction And Retention Time Alignment To Enhance Quantitative Chemometric Analysis Of Comprehensive Two-Dimensional Liquid Chromatography-Diode Array Detection Data, Robert Allen Nov 2012

Investigations Into Background Correction And Retention Time Alignment To Enhance Quantitative Chemometric Analysis Of Comprehensive Two-Dimensional Liquid Chromatography-Diode Array Detection Data, Robert Allen

Theses and Dissertations

The focus of the projects presented here was to develop possible solutions to three issues commonly encountered during chemometric analysis of comprehensive two-dimensional liquid chromatography diode array detector (LCxLC-DAD) data. The focus of the first project was to determine a means of performing background correction that removed two background ridges. The methods of simply subtracting out a mean blank sample, singular value decomposition based background correction (SVD-BC) and asymmetrically weighted least squares (AWLS) were compared. AWLS was found to be the only background correction technique to fully remove the ridges. However, AWLS was also found to attenuate the peak intensity …