Quadrupolar Sideband Lineshape

Quadrupolar sideband lineshape simulation

**** Single spinning sideband lineshape ****
****** The System **************************
spectrometer(MHz)  500
spinning_freq(kHz) 10
channels           X(200 3/2)
nuclei             X
atomic_coords      *
cs_isotropic       100
csa_parameters     *
j_coupling         *
quadrupole         1 1000 0.25 0 0 0
dip_switchboard    *
csa_switchboard    *
exchange_nuclei    *
bond_len_nuclei    *
bond_ang_nuclei    *
tors_ang_nuclei    *
groups_nuclei      *
******* Pulse Sequence *********************
timing(usec)     (0.5)2e+6
power(kHz)         0
phase(deg)         0
freq_offs(kHz)     0
****** Variables ***************************
******* Options ****************************
rho0               I1x
observables        I1p
EulerAngles        asgind100o
n_gamma            200
line_broaden(Hz)   *
zerofill           *
FFT_dimensions     1
lowpass_npoints    2048
options            -re
-- A single sideband can be obtained by shifting the spectrum to place
the sideband at zero frequency and then turning on the lowpass feature.
In this example, the "full" spectrum with 2e+6 points is cut down to the
2048 points. The resulting spectum is computed at the same resolution
(SW/npoints) as the full spectrum would have been computed. A different
resolution can be set by the variable lowpass_sw, in which case the number
2e+6 would be essentially ignored.
-- One can verify that the output in this example coincides with the 10th
sideband in the spectrum obtained in the quad_full example (except for a
much higher resolution).
-- Note that the spectral width specified by the pulse sequence should be
sufficient to cover the full spectrum to prevent folding.