Ap. Deweijer et al., SPECTRAL CURVE-FITTING OF INFRARED-SPECTRA OBTAINED FROM SEMICRYSTALLINE POLYESTER YARNS, Chemometrics and intelligent laboratory systems, 28(1), 1995, pp. 149-164
Infrared spectra of polymer yarns exhibit a large number of strongly o
verlapping peaks. One of the methods to study the physical yarn struct
ure quantitatively is to resolve the spectra into separate bell-shaped
peaks. Due to the overlapping peak patterns, curve fitting with steep
est descent like procedures depend on accurate initial estimates of th
e peak parameters. We developed a non-local curve fitting procedure, b
ased on a genetic algorithm, which proved to be less sensitive to init
ial estimates. The combination of a genetic algorithm with a nonlinear
estimator, based on Marquardt's method, gave the best curve fitting r
esults.