iMELO and SPC-5 DQ filters

  iMELO and SPC-5 DQ filter efficiencies (pulse sequences and simulations)

iMELO main input file:

****** The System *******
spectrometer(MHz)  400
spinning_freq(kHz) 10.0
channels           C13
nuclei             C13 C13
atomic_coords      4
cs_isotropic       *
csa_parameters     1 70 0.8  0 60 0 ppm
csa_parameters     2 70 0.8 30 90 0 ppm
j_coupling         *
quadrupole         *
dip_switchboard    *
csa_switchboard    *
exchange_nuclei    *
bond_len_nuclei    *
bond_ang_nuclei    *
tors_ang_nuclei    *
groups_nuclei      *
*** i-MELO = R1 R2 R1 R2 R3 R4 R3 R4 R2 R1 R2 R1 R4 R3 R4 R3
CHN 1
timing(usec)      (imelo.pp)11  (imelo.pp)11  0.5
power(kHz)         *             *            500
phase(deg)         *             *            90
freq_offs(kHz)     *             *            0
phase_cycling      *             1234         *   3131(RCV)
******* Variables **********************************
spinning_freq=9
psf_1_[1 2]=0.09*spinning_freq
tsf_[1 2]=1/psf_1_1
******* Options *************************************
rho0               F1z
observables        I1p
EulerAngles        rep168
n_gamma            9
line_broaden(Hz)   *
zerofill           *
FFT_dimensions     *
options            -re -dw1

Alternative version that uses explicit coherence selection:

*** i-MELO = R1 R2 R1 R2 R3 R4 R3 R4 R2 R1 R2 R1 R4 R3 R4 R3
CHN 1
timing(usec)      (imelo.pp)11  0  (imelo.pp)11   0.5
power(kHz)         *            0   *             500
phase(deg)         *            0   *             -90
freq_offs(kHz)     *            0   *               0
******* Variables **********************************
spinning_freq=9
psf_1_[1 3]=0.09*spinning_freq
tsf_[1 3]=1/psf_1_1
select_2=rowmatrix("2 -2")
******* Options *************************************
imelo.pp
20 50 180 0
20 50   0 0
10 50   0 0
20 50  90 0
20 50 270 0
20 50 180 0
20 50   0 0
10 50  90 0
20 50  90 0
20 50 270 0
20 50 180 0
20 50   0 0
10 50   0 0
20 50  90 0
20 50 270 0
20 50 180 0
20 50   0 0
10 50  90 0
20 50  90 0
20 50 270 0
20 50   0 0
20 50 180 0
10 50 180 0
20 50 270 0
20 50  90 0
20 50   0 0
20 50 180 0
10 50 270 0
20 50 270 0
20 50  90 0
20 50   0 0
20 50 180 0
10 50 180 0
20 50 270 0
20 50  90 0
20 50   0 0
20 50 180 0
10 50 270 0
20 50 270 0
20 50  90 0
20 50 180 0
20 50   0 0
10 50  90 0
20 50  90 0
20 50 270 0
20 50 180 0
20 50   0 0
10 50   0 0
20 50  90 0
20 50 270 0
20 50 180 0
20 50   0 0
10 50  90 0
20 50  90 0
20 50 270 0
20 50 180 0
20 50   0 0
10 50   0 0
20 50  90 0
20 50 270 0
20 50   0 0
20 50 180 0
10 50 270 0
20 50 270 0
20 50  90 0
20 50   0 0
20 50 180 0
10 50 180 0
20 50 270 0
20 50  90 0
20 50   0 0
20 50 180 0
10 50 270 0
20 50 270 0
20 50  90 0
20 50   0 0
20 50 180 0
10 50 180 0
20 50 270 0
20 50  90 0

SPC-5 input file:

****** The System *******
spectrometer(MHz)  400
spinning_freq(kHz) 10.0
channels           C13
nuclei             C13 C13
atomic_coords      4
cs_isotropic       *
csa_parameters     1 70 0.8  0 60 0 ppm
csa_parameters     2 70 0.8 30 90 0 ppm
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)      (spc5.pp)41    (spc5.pp)41    0.5
power(kHz)          *              *            500
phase(deg)          *              *            90
freq_offs(kHz)      *              *            0
phase_cycling       *             1234          *   3131(RCV)
******* Variables **********************************
spinning_freq=9
psf_1_[1 2]=0.1*spinning_freq
tsf_[1 2]=1/psf_1_1
******* Options *************************************
rho0               F1z
observables        I1p
EulerAngles        rep168
n_gamma            20
line_broaden(Hz)   *
zerofill           *
FFT_dimensions     *
options            -re -dw1
spc5.pp
5   50  0   0
20  50  180 0
15  50  0   0
5   50  72  0
20  50 -108 0
15  50  72  0
5   50  144 0
20  50 -36  0
15  50  144 0
5   50  216 0
20  50  36  0
15  50  216 0
5   50  288 0
20  50  108 0
15  50  288 0
5   50  180 0
20  50  0   0
15  50  180 0
5   50 -108 0
20  50  72  0
15  50 -108 0
5   50 -36  0
20  50  144 0
15  50 -36  0
5   50  36  0
20  50  216 0
15  50  36  0
5   50  108 0
20  50  288 0
15  50  108 0