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Improving resolution in multidimensional NMR using random quadrature detection with compressed sensing reconstruction.

Published version
Peer-reviewed

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Authors

Bostock, MJ 
Holland, DJ 
Nietlispach, Daniel  ORCID logo  https://orcid.org/0000-0003-4364-9291

Abstract

NMR spectroscopy is central to atomic resolution studies in biology and chemistry. Key to this approach are multidimensional experiments. Obtaining such experiments with sufficient resolution, however, is a slow process, in part since each time increment in every indirect dimension needs to be recorded twice, in quadrature. We introduce a modified compressed sensing (CS) algorithm enabling reconstruction of data acquired with random acquisition of quadrature components in gradient-selection NMR. We name this approach random quadrature detection (RQD). Gradient-selection experiments are essential to the success of modern NMR and with RQD, a 50 % reduction in the number of data points per indirect dimension is possible, by only acquiring one quadrature component per time point. Using our algorithm (CSRQD), high quality reconstructions are achieved. RQD is modular and combined with non-uniform sampling we show that this provides increased flexibility in designing sampling schedules leading to improved resolution with increasing benefits as dimensionality of experiments increases, with particular advantages for 4- and higher dimensional experiments.

Description

Keywords

-norm minimisation, CSRQD, Compressed sensing, Gradient selection, NMR spectroscopy, Non-uniform sampling, Random quadrature detection (RQD), Algorithms, Factor IX, Fourier Analysis, Humans, Isotope Labeling, Models, Theoretical, Nuclear Magnetic Resonance, Biomolecular, Proteins, Sensitivity and Specificity, Signal-To-Noise Ratio, Time

Journal Title

J Biomol NMR

Conference Name

Journal ISSN

0925-2738
1573-5001

Volume Title

Publisher

Springer Science and Business Media LLC
Sponsorship
Biotechnology and Biological Sciences Research Council (BB/K01983X/1)
MRC (MR/L014254/1)
Part of this work was performed using the Darwin Supercomputer of the University of Cambridge High Performance Computing Service (http://www.hpc.cam.ac.uk/), provided by Dell Inc. using Strategic Research Infrastructure Funding from the Higher Education Funding Council for England and funding from the Science and Technology Facilities Council.