We explain how to conduct a pseudo-3D relaxation series NUS measurement so that it can be reconstructed by existing 3D NUS reconstruction methods to give accurate relaxation values. We demonstrate using reconstruction algorithms IST and SMILE that this 3D approach allows lower sampling densities than for independent 2D reconstructions. This is in keeping with the common finding that higher dimensionality increases signal sparsity, enabling lower sampling density. The approach treats the relaxation series as ordinary 3D time-domain data whose imaginary part in the pseudo-dimension is zero, and applies any suitably linear 3D NUS reconstruction method accordingly. Best results on measured and simulated data were achieved using acquisitions with 9 to 12 planes and exponential spacing in the pseudo-dimension out toâ??~â??2 times the inverse decay time. Given these criteria, in typical cases where 2D reconstructions require 50% sampling, the new 3D approach generates spectra reliably at sampling densities of 25%.
[NMR paper] Software for reconstruction of non-uniformly sampled NMR data.
Software for reconstruction of non-uniformly sampled NMR data.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--media.wiley.com-assets-7388-69-wiley-full-text.png Related Articles Software for reconstruction of non-uniformly sampled NMR data.
Magn Reson Chem. 2020 Jun 09;:
Authors: Pedersen CP, Prestel A, Teilum K
Abstract
Non-uniform sampling (NUS) of multidimensional NMR experiments is a powerful tool to obtain high resolution spectra with less instrument time. With NUS only a subset of the points needed...
nmrlearner
Journal club
0
06-11-2020 06:01 PM
[NMR paper] Reconstruction of non-uniformly sampled five-dimensional NMR spectra by signal separation algorithm.
Reconstruction of non-uniformly sampled five-dimensional NMR spectra by signal separation algorithm.
Related Articles Reconstruction of non-uniformly sampled five-dimensional NMR spectra by signal separation algorithm.
J Biomol NMR. 2017 Feb 28;:
Authors: Kosi?ski K, Stanek J, Górka MJ, ?erko S, Ko?mi?ski W
Abstract
A method for five-dimensional spectral reconstruction of non-uniformly sampled NMR data sets is proposed. It is derived from the previously published signal separation algorithm, with major alterations to avoid...
nmrlearner
Journal club
0
03-01-2017 05:04 PM
Reconstruction of non-uniformly sampled five-dimensional NMR spectra by signal separation algorithm
Reconstruction of non-uniformly sampled five-dimensional NMR spectra by signal separation algorithm
Abstract
A method for five-dimensional spectral reconstruction of non-uniformly sampled NMR data sets is proposed. It is derived from the previously published signal separation algorithm, with major alterations to avoid unfeasible processing of an entire five-dimensional spectrum. The proposed method allows credible reconstruction of spectra from as little as a few hundred data points and enables sensitive resonance detection in experiments with a high...
nmrlearner
Journal club
0
03-01-2017 04:13 AM
Sparse multidimensional iterative lineshape-enhanced (SMILE) reconstruction of both non-uniformly sampled and conventional NMR data
Sparse multidimensional iterative lineshape-enhanced (SMILE) reconstruction of both non-uniformly sampled and conventional NMR data
Abstract
Implementation of a new algorithm, SMILE, is described for reconstruction of non-uniformly sampled two-, three- and four-dimensional NMR data, which takes advantage of the known phases of the NMR spectrum and the exponential decay of underlying time domain signals. The method is very robust with respect to the chosen sampling protocol and, in its default mode, also extends the truncated time domain signals by a...
nmrlearner
Journal club
0
11-20-2016 08:57 AM
Accurate determination of rates from non-uniformly sampled relaxation data
Accurate determination of rates from non-uniformly sampled relaxation data
Abstract
The application of non-uniform sampling (NUS) to relaxation experiments traditionally used to characterize the fast internal motion of proteins is quantitatively examined. Experimentally acquired Poisson-gap sampled data reconstructed with iterative soft thresholding are compared to regular sequentially sampled (RSS) data. Using ubiquitin as a model system, it is shown that 25Â*% sampling is sufficient for the determination of quantitatively accurate relaxation...
nmrlearner
Journal club
0
07-10-2016 10:50 AM
Application of iterative soft thresholding for fast reconstruction of NMR data non-uniformly sampled with multidimensional Poisson Gap scheduling
Application of iterative soft thresholding for fast reconstruction of NMR data non-uniformly sampled with multidimensional Poisson Gap scheduling
Abstract The fast Fourier transformation has been the gold standard for transforming data from time to frequency domain in many spectroscopic methods, including NMR. While reliable, it has as a drawback that it requires a grid of uniformly sampled data points. This needs very long measuring times for sampling in multidimensional experiments in all indirect dimensions uniformly and even does not allow reaching optimal evolution times that would...
nmrlearner
Journal club
0
02-16-2012 05:24 AM
FM reconstruction of non-uniformly sampled protein NMR data at higher dimensions and optimization by distillation
FM reconstruction of non-uniformly sampled protein NMR data at higher dimensions and optimization by distillation
Abstract Non-uniform sampling (NUS) enables recording of multidimensional NMR data at resolutions matching the resolving power of modern instruments without using excessive measuring time. However, in order to obtain satisfying results, efficient reconstruction methods are needed. Here we describe an optimized version of the Forward Maximum entropy (FM) reconstruction method, which can reconstruct up to three indirect dimensions. For complex datasets, such as NOESY spectra,...
nmrlearner
Journal club
0
01-09-2011 12:46 PM
[NMR paper] An NMR experiment for the accurate measurement of heteronuclear spin-lock relaxation
An NMR experiment for the accurate measurement of heteronuclear spin-lock relaxation rates.
Related Articles An NMR experiment for the accurate measurement of heteronuclear spin-lock relaxation rates.
J Am Chem Soc. 2002 Sep 11;124(36):10743-53
Authors: Korzhnev DM, Skrynnikov NR, Millet O, Torchia DA, Kay LE
Rotating-frame relaxation rates, R(1)(rho), are often measured in NMR studies of protein dynamics. We show here that large systematic errors can be introduced into measured values of heteronuclear R(1)(rho) rates using schemes which are...