Patent ID: 7308365

Claim:
A method of projection spectroscopy data recording for N-dimensional nuclear magnetic resonance (NMR) experiments, the method comprising the steps of: a) selecting N-dimensional NMR experiments out of a group of N-dimensional experiments, selecting dimensionalities (D i ) of projections, and unconstrained selecting of j sets of projection angles, wherein j≧2; b) recording discrete sets of j projections from the N-dimensional NMR experiments at the selected projection angles: c) peak picking and creating a peak list for each of the j projection spectra; d) automatically identifying peaks in the projection spectra that arise from a same resonance in the N-dimensional spectrum (N≧3) using vector algebra to exploit geometrical properties of projections in N-dimensional space and computing an N-dimensional peak list using vector algebra to exploit geometrical properties of the projections in the N-dimensional space, thereby determining resonance positions in N-dimensional frequency space; and e) storing the peak list of step d), wherein step d) comprises the steps of: d1) computing candidate points (C), which are intersection points in the N-dimensional spectrum of subspaces arising from peaks in x selected peak lists from the j peak lists created in step c), wherein x is a smallest number that warrants an existence of intersection points; d2) calculating a number S of intersecting subspaces for each candidate point (C) using all j peak lists; d3) creating a peak subgroup list by identifying all peaks that contribute to a selected candidate point (C); d4) repeating steps d1) to d3) k−1 times, wherein k≧1; d5) merging the k peak subgroup lists; and d6) calculating peak positions in the N-dimensional spectrum based on peak subgroups of the peak subgroup lists in the merged list obtained in step d5).