The usefulness of the deconvolution of chromatograms into orthogonal polynomials for characterizing the quality of separation |
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Authors: | HJG Debets AW Wijnsma DA Doornbos HC Smit |
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Institution: | Optimization Research Group, Department of Pharmaceutical and Analytical Chemistry, State University, Ant. Deusinglaan 2, NL-9713 AW Groningen The Netherlands;Laboratory for Analytical Chemistry, University of Amsterdam, Nieuwe Achtergracht 166, NL-1018 WV Amsterdam The Netherlands |
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Abstract: | Simulated chromatograms are deconvoluted into series of orthogonal polynomials. The number of terms necessary to achieve a preset goodness of fit, the reproducibility of coefficients in the presence of noise and the effects of signal-to-noise ratio, peak-height ratio and peak asymmetry on the value of coefficients from the deconvolution are investigated. A convenient method for the deconvolution of real chromatograms is described in order to characterize the quality of separation in the chromatogram. A known quality criterion is modified by using coefficients from the deconvolution in order to enhance its performance. Performance is tested on a simulated separation of five sulfa drugs on a reversed- phase column. |
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