Reconstruction of chromatographic peaks using the exponentially modified Gaussian function

摘要

The exponentially modified Gaussian (EMG) peak shape is widely used for peak approximation in chromatography. We constructed the EMG peak deconvolution routine for chromatography using a combination of two EMG formulas and linear optimization methods. A convenient way to determine the position of the EMG peak top was found. The routine accounts for the maximum linear range of the detector and can work with out-of-range peaks, where the detector saturation cuts off the top of the peak. The optimization routine is applied to the reconstruction of out-of-range peaks using correctly measured points, so that an analyst can get an idea of the height, area and concentration of such peaks as well as the prediction error in similar cases. Peak reconstruction helps in reducing the number of chromatographic runs during method development and routine work. The possibility of reconstructing out-of-range peaks using the pre-defined peak shape obtained while calibrating is also discussed.