Optimized sampling patterns for multidimensional T2 experiments.
Non-uniform sampling in multidimensional NMR shows great promise to significantly decrease experimental acquisition times, especially for relaxation experiments for which peak locations are already known. In this paper we present a method for optimizing the non-uniform sampling points such that the noise amplification and numerical instabilities are minimized. In particular, the minimum singular value of the Moore-Penrose pseudo-inverse is maximized using sequential semi-definite programming, thereby minimizing the worst-case errors. We test this method numerically on a set of assignment data from the proteins ubiquitin (in both folded and unfolded states) and RIalpha (119-244), a cAMP-binding regulatory subunit of protein kinase A (PKA). This test indicates that optimizing more than doubles the efficiency over random selection of points, and the efficiency increases as we go to higher dimensions.
Anand
Christopher Kumar
CK
Department of Computing and Software, McMaster University, 1280 Main Street West, ITB-202, Hamilton, Ont., Canada L8S 4K1. anandc@mcmaster.ca
Bain
Alex D
AD
Sharma
Anuroop
A
D000465:Algorithms; D003198:Computer Simulation; D003627:Data Interpretation, Statistical; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008956:Models, Chemical; D015233:Models, Statistical; D018401:Sample Size; D012815:Signal Processing, Computer-Assisted