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An automated tool for maximum entropy reconstruction of biomolecular NMR spectra

Nature Methods volume 4, pages 467–468 (2007)Cite this article

To the editor:

High resolution is essential for successful application of NMR spectroscopy to biomolecules, but involves a classic 'catch-22'. High magnetic fields increase chemical shift dispersion, thus increasing resolution and reducing spectral overlap, but the required increase in sampling rate (to avoid aliasing) means longer acquisition times in the indirect dimensions of multidimensional experiments (indirect dimensions are sampled by iteration, whereas the lone 'direct' dimension is sampled in real time). Consequently the potential resolution afforded by high magnetic fields is rarely realized in the indirect dimensions. There is a growing realization that this is a consequence of uniform sampling required by conventional Fourier methods of spectrum analysis.

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Figure 1: Automated MaxEnt reconstruction can dramatically reduce data collection time or improve resolution.

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Author notes

  1. Mehdi Mobli

    Present address: Present address: Manchester Interdisciplinary Biocenter, University of Manchester, 131 Princess St., Manchester M1 7ND, UK.,

  2. Mehdi Mobli and Mark W Maciejewski: These authors contributed equally to this work.

Authors and Affiliations

  1. University of Connecticut Health Center, 263 Farmington Ave., Farmington, 06030, Connecticut, USA

    Mehdi Mobli, Mark W Maciejewski, Michael R Gryk & Jeffrey C Hoch

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  1. Mehdi Mobli
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  2. Mark W Maciejewski
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  3. Michael R Gryk
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  4. Jeffrey C Hoch
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Competing interests

J.C.H. retains intellectual property rights to the Rowland NMR Toolkit software.

Supplementary information

Supplementary Fig. 1

Flowchart of automated MaxEnt reconstruction. (PDF 27 kb)

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Mobli, M., Maciejewski, M., Gryk, M. et al. An automated tool for maximum entropy reconstruction of biomolecular NMR spectra. Nat Methods 4, 467–468 (2007). https://doi.org/10.1038/nmeth0607-467

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