Automated decomposition algorithm for Raman spectra based on a Voigt line profile model.

Raman spectra measured by spectrometers usually suffer from band overlap and random noise. In this paper, an automated decomposition algorithm based on a Voigt line profile model for Raman spectra is proposed to solve this problem. To decompose a measured Raman spectrum, a Voigt line profile model is introduced to parameterize the measured spectrum, and a Gaussian function is used as the instrumental broadening function. Hence, the issue of spectral decomposition is transformed into a multiparameter optimization problem of the Voigt line profile model parameters. The algorithm can eliminate instrumental broadening, obtain a recovered Raman spectrum, resolve overlapping bands, and suppress random noise simultaneously. Moreover, the recovered spectrum can be decomposed to a group of Lorentzian functions. Experimental results on simulated Raman spectra show that the performance of this algorithm is much better than a commonly used blind deconvolution method. The algorithm has also been tested on the industrial Raman spectra of ortho-xylene and proved to be effective.