# na-shifted-echo-echo-96-phase-cycling-p1.in # approach: 96-phase cycling the first pulse, the third pulse and the receiver # spin-3/2 echo amplitude optimization # versus the first-pulse duration # in three-pulse shifted-echo phase-modulated -3Q-MAS sequence, # the second-pulse duration p2 = 4 micro seconds # the third-pulse duration p3 = 2 micro seconds spinsys { channels 23Na nuclei 23Na quadrupole 1 1 1e6 1 0 0 0 } par { spin_rate 5000 variable tsw 0.25 sw 1.0e6/tsw np 17 crystal_file rep100 gamma_angles 10 proton_frequency 800e6 start_operator I1z detect_operator I1c verbose 1101 variable rf 90000 variable rf3 93000 variable p2 4 variable p3 2 } proc pulseq {} { global par maxdt $par(tsw) acq $par(ph31) for {set i 1} {$i < $par(np)} {incr i} { pulse $par(tsw) $par(rf) $par(ph1) store 2 pulse $par(p2) $par(rf) x pulse $par(p3) $par(rf3) $par(ph3) acq $par(ph31) reset prop 2 } } proc main {} { global par foreach p {{ 0 0 270}\ { 30 0 0}\ { 60 0 90}\ { 90 0 180}\ {120 0 270}\ {150 0 0}\ {180 0 90}\ {210 0 180}\ {240 0 270}\ {270 0 0}\ {300 0 90}\ {330 0 180}\ { 0 45 0}\ { 30 45 90}\ { 60 45 180}\ { 90 45 270}\ {120 45 0}\ {150 45 90}\ {180 45 180}\ {210 45 270}\ {240 45 0}\ {270 45 90}\ {300 45 180}\ {330 45 270}\ { 0 90 90}\ { 30 90 180}\ { 60 90 270}\ { 90 90 0}\ {120 90 90}\ {150 90 180}\ {180 90 270}\ {210 90 0}\ {240 90 90}\ {270 90 180}\ {300 90 270}\ {330 90 0}\ { 0 135 180}\ { 30 135 270}\ { 60 135 0}\ { 90 135 90}\ {120 135 180}\ {150 135 270}\ {180 135 0}\ {210 135 90}\ {240 135 180}\ {270 135 270}\ {300 135 0}\ {330 135 90}\ { 0 180 270}\ { 30 180 0}\ { 60 180 90}\ { 90 180 180}\ {120 180 270}\ {150 180 0}\ {180 180 90}\ {210 180 180}\ {240 180 270}\ {270 180 0}\ {300 180 90}\ {330 180 180}\ { 0 225 0}\ { 30 225 90}\ { 60 225 180}\ { 90 225 270}\ {120 225 0}\ {150 225 90}\ {180 225 180}\ {210 225 270}\ {240 225 0}\ {270 225 90}\ {300 225 180}\ {330 225 270}\ { 0 270 90}\ { 30 270 180}\ { 60 270 270}\ { 90 270 0}\ {120 270 90}\ {150 270 180}\ {180 270 270}\ {210 270 0}\ {240 270 90}\ {270 270 180}\ {300 270 270}\ {330 270 0}\ { 0 315 180}\ { 30 315 270}\ { 60 315 0}\ { 90 315 90}\ {120 315 180}\ {150 315 270}\ {180 315 0}\ {210 315 90}\ {240 315 180}\ {270 315 270}\ {300 315 0}\ {330 315 90}} { set par(ph1) [lindex $p 0] set par(ph3) [lindex $p 1] set par(ph31) [lindex $p 2] set g [fsimpson] if [info exists f] { fadd $f $g funload $g } else { set f $g } } fsave $f $par(name).fid funload $f puts "Larmor frequency (Hz) of 23Na: " puts [resfreq 23Na $par(proton_frequency)] } # SIMP # NP=17 # SW=4000000 # TYPE=FID # DATA # 0 0 # 6.83295818e-05 -3.74700271e-16 # 0.00208360158 7.21644966e-16 # 0.0146014963 -6.10622664e-16 # 0.0550666967 5.55111512e-17 # 0.146162924 -8.32667268e-16 # 0.30834346 -1.77635684e-15 # 0.552892748 -6.66133815e-16 # 0.879255913 -1.60982339e-15 # 1.27749383 -1.38777878e-15 # 1.73362393 -1.41553436e-15 # 2.23431515 8.32667268e-17 # 2.76854627 -5.55111512e-16 # 3.32633731 7.77156117e-16 # 3.89664988 2.22044605e-16 # 4.46673591 -3.33066907e-16 # 5.02372271 1.05471187e-15 # END