Abstract

Parameter estimation of overlapping (near-)symmetrical absorption bands with reference to quantitative determination may advantageously be performed by a new procedure that involves fitting a generalized four-parameter band shape function to the Fourier-domain representation of the second-derivative spectrum. Important features of the method are: insensitivity to linear and weakly curved baselines, inherent noise reduction, fast calculation of objective function, and band simulation capability much better than that with the Gauss or Lorentz shapes.

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