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
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.