Efficient simulation of coherence transfer pathway selection by phase cycling and pulsed field gradients in NMR

The selection of well-defined coherence transfer pathways is an essential feature of all but the simplest NMR and EPR pulse sequences. This selection can be achieved by phase cycling and by pulsed field gradients. The properties of the RF-pulses (Aip angle, offset effects, inhomogeneity) and transport phenomena (diffusion, flow) in conjunction with gradients cause a weighting of the different coherence transfer pathways. We present a method by which the selection process can be simulated efficiently and visualized easily, In its basic form it involves straightforward matrix manipulations without reference to the density matrix and the particular spin system. This method is implemented in a MATLAB program, called CCCP (Complete Calculation of Coherence Pathways). (C) 1998 Academic Press.