Reconstruction of Self-Sparse 2D NMR Spectra from Undersampled Data in the Indirect Dimension†

Reducing the acquisition time for two-dimensional nuclear magnetic resonance (2D NMR) spectra is important. One way to achieve this goal is reducing the acquired data. In this paper, within the framework of compressed sensing, we proposed to undersample the data in the indirect dimension for a type of self-sparse 2D NMR spectra, that is, only a few meaningful spectral peaks occupy partial locations, while the rest of locations have very small or even no peaks. The spectrum is reconstructed by enforcing its sparsity in an identity matrix domain with ℓp (p = 0.5) norm optimization algorithm. Both theoretical analysis and simulation results show that the proposed method can reduce the reconstruction errors compared with the wavelet-based ℓ1 norm optimization

Bayesian inference for multidimensional NMR image reconstruction

Reconstruction of an image from a set of projections has been adapted to generate multidimensional nuclear magnetic resonance (NMR) spectra, which have discrete features that are relatively sparsely distributed in space. For this reason, a reliable reconstruction can be made from a small number of projections. This new concept is called Projection Reconstruction NMR (PR-NMR). In this paper, multidimensional NMR spectra are reconstructed by Reversible Jump Markov Chain Monte Carlo (RJMCMC). This statistical method generates samples under the assumption that each peak consists of a small number of parameters: position of peak centres, peak amplitude, and peak width. In order to find the number of peaks and shape, RJMCMC has several moves: birth, death, merge, split, and invariant updating. The reconstruction schemes are tested on a set of six projections derived from the three-dimensional 700 MHz HNCO spectrum of a protein HasA