Unbiased measurements of reconstruction fidelity of sparsely sampled magnetic resonance spectra.

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2016-07-27

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Abstract

The application of sparse-sampling techniques to NMR data acquisition would benefit from reliable quality measurements for reconstructed spectra. We introduce a pair of noise-normalized measurements, and , for differentiating inadequate modelling from overfitting. While and can be used jointly for methods that do not enforce exact agreement between the back-calculated time domain and the original sparse data, the cross-validation measure is applicable to all reconstruction algorithms. We show that the fidelity of reconstruction is sensitive to changes in and that model overfitting results in elevated and reduced spectral quality.

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10.1038/ncomms12281

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Wu, Qinglin, Brian E Coggins and Pei Zhou (2016). Unbiased measurements of reconstruction fidelity of sparsely sampled magnetic resonance spectra. Nat Commun, 7. p. 12281. 10.1038/ncomms12281 Retrieved from https://hdl.handle.net/10161/13065.

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Scholars@Duke

Coggins

Brian Edward Coggins

Assistant Research Professor of Biochemistry
Zhou

Pei Zhou

Professor of Biochemistry

The Zhou lab focuses on the elucidation of the structure and dynamics of protein–protein and protein–ligand interactions and their functions in various cellular processes. Our current efforts are directed at enzymes and protein complexes involved in bacterial membrane biosynthesis, translesion DNA synthesis, co-transcriptional regulation, and host-pathogen interactions. Our investigations of these important cellular machineries have led to the development of novel antibiotics and cancer therapeutics, as well as the establishment of new biotechnology adventures.

 

The Zhou lab integrates a variety of biochemical and biophysical tools, including NMR, X-ray crystallography, cryo-EM, and enzymology. The lab has played a major role in the development and application of innovative NMR technologies, including high-resolution, high-dimensional spectral reconstruction techniques.


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