| The work discussed herein explores issues and strategies for the systematic, multivariate mathematical (also known as chemometric) analysis of chromatograms resulting from gas chromatographic separations in order to more rapidly and efficiently elucidate information about complex chemical mixtures. This approach represents a significant shift in the current paradigm of chromatographic data analysis, as it is focuses on the ability of the analyst to extract useful information from the chromatographic data rather than on the capability of the analyst to achieve complete or nearly complete chromatographic resolution of component mixtures. Case studies involving chemometric analysis of high-speed gas chromatographic separations are presented, and the development of multidimensional gas chromatographic instrumentation and separation methods optimized for use with chemometric analysis methodologies is discussed. Methods to address inconsistencies in chromatographic data such as retention time variation are developed and featured as a necessary enhancement to standard chemometric analysis techniques. |
