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Entropy minimization and spectral dissimilarity curve resolution technique applied to nuclear magnetic resonance data
Effendi Widjaja1, Marc Garland
1Department of Chemical and Biomolecular Engineering, National University of Singapore, 4 Engineering Drive 4, 117576, Singapore.
Abstract:
The use of entropy minimization and spectral dissimilarity is applied to three nuclear magnetic resonance (NMR) data sets. The data sets contain 2, 2, and 3 observables each. It was found that without any a priori information the sets of pure component spectra underlying the NMR spectroscopic observations could be extracted. These successful spectral resolutions suggest that a combined entropy minimization and spectral dissimilarity approach can be further developed for even larger NMR data sets containing a larger number of observables. Brief comparison to DECRA and PMF curve resolution results is also presented.
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