Literature DB >> 11607089

Does the maximum entropy method improve sensitivity?

D L Donoho1, I M Johnstone, A S Stern, J C Hoch.   

Abstract

Maximum entropy reconstruction has been used in several fields to produce visually striking reconstructions of positive objects (images, densities, spectra) from noisy, indirect measurements. In magnetic resonance spectroscopy, this technique is notable for its apparent noise suppression and its avoidance of the artifacts that affect discrete Fourier transform spectra of short (zero-extended) data records. In the general case where the length of the reconstructed spectrum exceeds that of the data record or where a convolution kernel is incorporated in the reconstruction, no known analytical solution to the reconstruction problem exists. Consequently, knowledge of the properties of maximum entropy reconstruction has been mainly anecdotal, based on a small selection of published reconstructions. However, in the limiting case where the lengths of the reconstructed spectrum and the data record are the same and a convolution kernel is not applied, the problem can be solved analytically. The solution has a simple structure that helps explain several commonly observed features of maximum entropy reconstructions--for example, the biases in the recovered intensities and the fact that noise near the baseline is more successfully suppressed than is noise superimposed on broad features in the spectrum. The solution also shows that the noise suppression offered by maximum entropy reconstruction could (in this special case) be equally well obtained by a "cosmetic" device: simply displaying the conventional Fourier transform reconstruction using a certain nonlinear plotting scale for the vertical (y) coordinate.

Year:  1990        PMID: 11607089      PMCID: PMC54262          DOI: 10.1073/pnas.87.13.5066

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  1 in total

1.  Modern spectrum analysis in nuclear magnetic resonance: alternatives to the Fourier transform.

Authors:  J C Hoch
Journal:  Methods Enzymol       Date:  1989       Impact factor: 1.600

  1 in total
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2.  Reliable determinations of protein-ligand interactions by direct ESI-MS measurements. Are we there yet?

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5.  Z-matrix formalism for quantitative noise assessment of covariance nuclear magnetic resonance spectra.

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Journal:  J Chem Phys       Date:  2008-09-14       Impact factor: 3.488

6.  Sensitivity of nonuniform sampling NMR.

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Journal:  J Phys Chem B       Date:  2015-05-18       Impact factor: 2.991

7.  Nonuniform sampling and maximum entropy reconstruction in multidimensional NMR.

Authors:  Jeffrey C Hoch; Mark W Maciejewski; Mehdi Mobli; Adam D Schuyler; Alan S Stern
Journal:  Acc Chem Res       Date:  2014-01-09       Impact factor: 22.384

8.  Sensitivity gains, linearity, and spectral reproducibility in nonuniformly sampled multidimensional MAS NMR spectra of high dynamic range.

Authors:  Christopher L Suiter; Sivakumar Paramasivam; Guangjin Hou; Shangjin Sun; David Rice; Jeffrey C Hoch; David Rovnyak; Tatyana Polenova
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9.  Non-Uniform Sampling in NMR Spectroscopy and the Preservation of Spectral Knowledge in the Time and Frequency Domains.

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Review 10.  Biomolecular NMR data analysis.

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