Applications of the direct exponential curve resolution algorithm (DECRA) to solid state nuclear magnetic resonance and mid-infrared spectra

Citation
W. Windig et al., Applications of the direct exponential curve resolution algorithm (DECRA) to solid state nuclear magnetic resonance and mid-infrared spectra, J CHEMOMETR, 14(3), 2000, pp. 213-227
Citations number
17
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
JOURNAL OF CHEMOMETRICS
ISSN journal
08869383 → ACNP
Volume
14
Issue
3
Year of publication
2000
Pages
213 - 227
Database
ISI
SICI code
0886-9383(200005/06)14:3<213:AOTDEC>2.0.ZU;2-7
Abstract
DECRA (direct exponential curve resolution algorithm) is a fast multivariat e method used to resolve spectral data with concentration profiles that are linear combinations of exponential functions. DECRA has been previously ap plied to a wide variety of spectroscopies. Results are presented in this pa per for two new application areas: solid state nuclear magnetic resonance s pectra of polymorphic crystal mixtures and mid-infrared spectroscopy of che mical reactions. Furthermore, the paper will show the effect of the way the data set is split, which is a part of the algorithm, on the results. Copyr ight (C) 2000 John Wiley & Sons, Ltd.