Davies ENDOR sequence with explicit soft pulses and all of the attendant effects, such as orientation selection. Soft pulses are simulated using the Fokker-Planck formalism.
The following parameters refer to the electron pi pulse. The duration of the electron pi/2 pulse is obtained by halving parameters.e_dur:
parameters.e_frq - frequency of the electron pulse, Hz parameters.e_phi - phase of the electron pulse, rad parameters.e_pwr - power of the electron pulse, rad/s parameters.e_dur - duration of the electron pulse, s parameters.e_rnk - Fokker-Planck cut-off rank for the electron pulse
The following parameters refer to the nuclei pulse:
parameters.n_frq - vector of frequencies for the nuclei pulse, in Hz. The answer is returned as a vector of the same dimension. parameters.n_phi - phase of the nuclei pulse, rad parameters.n_pwr - power of the nuclei pulse, rad/s parameters.n_dur - duration of the nuclei pulse, s parameters.n_rnk - Fokker-Planck cut-off rank for the nuclei pulse parameters.method - method to use during the call to shaped_pulse_af() H - Hamiltonian matrix, received from context function R - relaxation superoperator, received from context function K - kinetics superoperator, received from context function
answer - amplitude detected on the coil state for each frequency of the nuclear pulse
Fokker-Planck ranks should be increased until convergence is achieved in the output. The same applies to the size of the spherical grid.
Version 2.3, authors: Luke Edwards