QUANTIFICATION OF OVERLAPPING CHROMATOGRAPHIC PEAKS USING A MATCHED-FILTER

A novel approach to the quantification of overlapping chromatographic peaks is introduced. The sum of the models for the individual overlapp ing peaks is taken as the signal model in a matched filter. Thus, the signal intensities being the objective of the quantification procedure become parameters in an overall signal model. These and, if necessary , other parameters are adapted by a modified simplex algorithm optimiz ing the maximum in the output of the matched filter. A prediction of t he results can be made on the basis of a noiseless response surface th at can be calculated from the models. When shapes and positions of the peaks are known and only their intensities need to be estimated, a qu antitative theoretical error estimation is possible. The results thus predicted are considered optimal and are used as a reference in the ev aluation of the results of a range of experiments using simulated data containing two overlapping Gaussians and first-order band-limited noi se. The proposed procedure works well, the quality of the results usua lly being on or just little below the theoretical optimum. Under condi tions of high overlap or a low signal to noise ratio, the experimental results no longer follow a normal distribution and their quality is l ower.