MAXIMUM-ENTROPY AND NMR - A NEW APPROACH

A new algorithm for maximum entropy reconstruction of NMR data is proposed. We use the conventional entropy expression, -Σxjln xj, identifying xj as either the distribution of nuclear spin orientations (in a classical treatment) or the spin density operator (in a quantum mechanical treatment). Maxim...

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Bibliographic Details
Main Authors: Daniell, G, Hore, P
Format: Journal article
Language:English
Published: 1989
Description
Summary:A new algorithm for maximum entropy reconstruction of NMR data is proposed. We use the conventional entropy expression, -Σxjln xj, identifying xj as either the distribution of nuclear spin orientations (in a classical treatment) or the spin density operator (in a quantum mechanical treatment). Maximization of this entropy, subject to the usual x2 constraint imposed by the experimental data, is shown to be equivalent to maximizing a more complicated entropy expression with respect to Mx(ω) and My(ω), the x and y components of magnetization present at the start of acquisition. Specifically, for nuclei of spin- 1 2, the entropy is -Σ [(zj)arc sinh(zj) - (1 + zj2) 1 2] with zj proportional to the modulus of the complex magnetization, |Mx(ω) + iMy(ω)|. Unlike previous implementations of the maximum entropy method, the new algorithm is shown to be capable of handling NMR signals of arbitrary phase. © 1989.