Quantification of Maximum-Entropy Spectrum Reconstructions

Authors: Schmieder, P.1; Stern, A.S.2; Wagner, G.3; Hoch, J.C.2

Source: Journal of Magnetic Resonance, Volume 125, Number 2, April 1997 , pp. 332-339(8)

Publisher: Academic Press

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Maximum-entropy spectrum reconstruction derives much of its power from its nonlinearity. This nonlinearity causes difficulties in several contexts, however, including computation of multidimensional spectra and quantification of reconstructed spectra. We describe two methods for avoiding these difficulties: a "Constant-lambda" algorithm for performing row-wise reconstructions, which uses a fixed weighting of the entropy and the experimental constraint in the objective function, and in situ error analysis, for calibrating the nonlinearity. These methods are applied to data from quantitative J -correlation and relaxation experiments.

Document Type: Research Article

Affiliations: 1: Forschungsinstitute fur molekulare Pharmakologie, Alfred-Kowalke-Strasse 4, Berlin, D-10315, Germany 2: Rowland Institute for Science, 100 Edwin H. Land Boulevard, Cambridge, Massachusetts, 02142 3: Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, 240 Longwood Avenue, Boston, Massachusetts, 02115

Publication date: April 1, 1997

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