Special Issue Article
Reconstruction of chromatographic peaks using the exponentially modified Gaussian function
Article first published online: 21 FEB 2011
Copyright © 2011 John Wiley & Sons, Ltd.
Journal of Chemometrics
Special Issue: WSC-7: 7th Winter Symposium on Chemometrics
Volume 25, Issue 7, pages 352–356, July 2011
How to Cite
Kalambet, Y., Kozmin, Y., Mikhailova, K., Nagaev, I. and Tikhonov, P. (2011), Reconstruction of chromatographic peaks using the exponentially modified Gaussian function. J. Chemometrics, 25: 352–356. doi: 10.1002/cem.1343
- Issue published online: 13 JUL 2011
- Article first published online: 21 FEB 2011
- Manuscript Accepted: 15 JUL 2010
- Manuscript Revised: 6 JUL 2010
- Manuscript Received: 15 APR 2010
- exponentially modified Gaussian;
- peak reconstruction;
- detector overload;
- peak deconvolution
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. Copyright © 2011 John Wiley & Sons, Ltd.