CW NMR scan
****** The System *********************************** spectrometer(MHz) * spinning_freq(kHz) * channels H1 nuclei H1 atomic_coords * cs_isotropic * csa_parameters * 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) 500100000 power(kHz) 0.0001 phase(deg) 90 freq_offs(kHz) 0 CHN G timing(usec) [100000]5001 grad_offs(kHz) [0]5001 ******* Variables *********************************** T1SQ_1_1=2000 T2SQ_1_1=2000 grad_offs_1=0.025:-1e-5:-0.025 dim_1_units="s" fig_title="CW NMR: Linear Frequency Sweep, computed in 5000 small steps" ******* Options ************************************* rho0 I1z observables I1p EulerAngles * n_gamma * line_broaden(Hz) * zerofill * FFT_dimensions * options -re -oes -py
Alternative version: frequency scan instead of the field scan
****** The System *********************************** spectrometer(MHz) * spinning_freq(kHz) * channels H1 nuclei H1 atomic_coords * cs_isotropic * csa_parameters * 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) [100000]5001 power(kHz) [0.0001]5001 phase(deg) [90]5001 freq_offs(kHz) [0]5001 ******* Variables ***************************************** T1SQ_1_1=2000 T2SQ_1_1=2000 freq_1_1=-0.025:1e-5:0.025 dim_1_units="s" fig_title="CW NMR: Linear Frequency Sweep, computed in 5000 small steps" ******* Options ******************************************** rho0 I1z observables I1p EulerAngles * n_gamma * line_broaden(Hz) * zerofill * FFT_dimensions * options -re -oes -py