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Peak deconvolution by shape

This module is used for the purpose of peak deconvolution using shape considerations. Shape models used are: Gaussian, Exponentially Modified Gaussian and user-defined. The module does NOT use Fourier transform.

Exponentially Modified Gaussian (EMG) peak shape [1,2] equation can be written in two different ways:
Gaussian1
Gaussian2
where t is time, h – Gaussian height, σ – Gaussian sigma, μ – position of Gaussian, τ – relaxation time, parameter of exponent used to modify Gaussian, erfc() – complementary error function, erfcx() – scaled complementary error function.

EMG is widely used for peak approximation in chromatography. We constructed EMG peak deconvolution routine for chromatography, using combination of these two formulas and linear optimization methods. This routine accounts for maximum linear range of the detector and can work with out-of range peaks.

[1] McWilliam, I. G.; Bolton, H. C. Anal. Chem. 1969, 41, 1755-1762.

[2] Delley, R. Anal. Chem. 1985, 57, 388

 

 

 

 

 

 

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