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.