CURVE-FITTING AND DECONVOLUTION OF INSTRUMENTAL BROADENING - A SIMULATED ANNEALING APPROACH

A curve-fitting procedure based on the simulated annealing algorithm h as been developed for the analysis of spectral Raman data. By the incl usion of a priori information about the instrumental broadening in the definition of the cost function that is minimized, effects of the fin ite instrumental resolution are eliminated from the resulting fit. The ability of the method to reproduce original band shapes is tested on synthesized spectra and FT-Raman spectra of diamond recorded at differ ent resolutions with different apodization functions. The procedure yi elds the global optimum of the fitted parameters and is easily impleme nted on a personal computer.