CSA Powder Pattern

CSA Powder Pattern

****** The System *******
spectrometer(MHz)  500
spinning_freq(kHz) *
channels           C13
nuclei             C13
atomic_coords      *
cs_isotropic       *
csa_parameters     1 1 0.5 0 0 0
j_coupling         *
quadrupole         *
dip_switchboard    *
csa_switchboard    *
exchange_nuclei    *
bond_len_nuclei    *
bond_ang_nuclei    *
tors_ang_nuclei    *
groups_nuclei      *
******* Pulse Sequence ******************************
CHN 1
timing(usec)      (200)512
power(kHz)         0           
phase(deg)         0       
freq_offs(kHz)     0
******* Variables ***********************************
fig_title="CSA Powder Pattern"
******* Options *************************************
rho0               I1x
observables        I1p
EulerAngles        asgind100o
n_gamma            *
line_broaden(Hz)   *
zerofill           *
FFT_dimensions     1
options            -re -py
******************************************************
-- Note the orientation of the CSA tensor. So that powder averaging
over one octant could be used, it has to be alligned with the crystallite frame.
-- See also the analytic mode version of this simulation, csa-am