Applications of the direct exponential curve resolution algorithm (DECRA) to solid state nuclear magnetic resonance and mid-infrared spectra
DECRA (direct exponential curve resolution algorithm) is a fast multivariate method used to resolve spectral data with concentration profiles that are linear combinations of exponential functions. DECRA has been previously applied to a wide variety of spectroscopies. Results are presented in this paper for two new application areas: solid state nuclear magnetic resonance spectra of polymorphic crystal mixtures and mid-infrared spectroscopy of chemical 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. Copyright (C) 2000 John Wiley & Sons, Ltd.
direct exponential curve resolution algorithm (decra) exponentials polymorphs generalized rank annihilation method (gram) mir spectra solid state nmr spectra kinetics