Entropy minimization and spectral dissimilarity curve resolution technique applied to nuclear magnetic resonance data sets.

J Magn Reson

Department of Chemical and Biomolecular Engineering, National University of Singapore, 4 Engineering Drive 4, 117576, Singapore.

Published: March 2005

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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http://dx.doi.org/10.1016/j.jmr.2004.11.028DOI Listing

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