SPECTRAL CURVE-FITTING OF INFRARED-SPECTRA OBTAINED FROM SEMICRYSTALLINE POLYESTER YARNS

Citation
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
Citations number
28
Categorie Soggetti
Computer Application, Chemistry & Engineering","Instument & Instrumentation","Chemistry Analytical","Computer Science Artificial Intelligence","Robotics & Automatic Control
ISSN journal
01697439
Volume
28
Issue
1
Year of publication
1995
Pages
149 - 164
Database
ISI
SICI code
0169-7439(1995)28:1<149:SCOIOF>2.0.ZU;2-J
Abstract
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.