title: Improving resolution in multidimensional NMR using random quadrature detection with compressed sensing reconstruction.
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.
authors.affiliation: Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Old Addenbrooke's Site, Cambridge, CB2 1GA, UK.
authors.forename: M J
authors.initials: MJ
authors.lastname: Bostock
authors.affiliation: Chemical and Process Engineering Department, University of Canterbury, Christchurch, New Zealand.
authors.forename: D J
authors.initials: DJ
authors.lastname: Holland
authors.affiliation: Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Old Addenbrooke's Site, Cambridge, CB2 1GA, UK. dn206@cam.ac.uk.
authors.forename: D
authors.initials: D
authors.lastname: Nietlispach
mesh_terms: D000465:Algorithms; D005164:Factor IX / Q000737:chemistry; D005583:Fourier Analysis; D006801:Humans; D007553:Isotope Labeling; D008962:Models, Theoretical; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D011506:Proteins / Q000737:chemistry; D012680:Sensitivity and Specificity; D059629:Signal-To-Noise Ratio; D013995:Time
chemical_list: D011506:Proteins; D005164:Factor IX
keywords: -norm minimisation; CSRQD; Compressed sensing; Gradient selection; NMR spectroscopy; Non-uniform sampling; Random quadrature detection (RQD)