# al-split-t1-5Q-antiecho-selective-80-phase-cycling-p2.in # oQ -> 5Q -> (5Q, 1Q, -3Q) -> -1Q # approach: 80-phase cycling the first pulse, the third pulse and the receiver # spin-5/2 antiecho amplitude optimization # versus the second-pulse duration # in three-pulse split-t1 phase-modulated 5Q-MAS sequence, # the first-pulse duration p1 = 15 micro seconds # the third-pulse duration p3 = 2 micro seconds spinsys { channels 27Al nuclei 27Al quadrupole 1 1 3e6 1 0 0 0 } par { spin_rate 5000 variable tsw 0.5 sw 1.0e6/tsw np 34 crystal_file rep10 gamma_angles 10 proton_frequency 800e6 start_operator I1z detect_operator I1c verbose 1101 variable rf 90000 variable rf3 9000 variable p1 15 variable p3 2 variable N1 20 variable N3 4 variable deltap1 -5 variable deltap3 2 } proc pulseq {} { global par maxdt $par(tsw) pulse $par(p1) $par(rf) $par(ph1) store 10 reset acq $par(ph31) for {set i 1} {$i < $par(np)} {incr i} { reset prop 10 pulse [expr ($i)*$par(tsw)] $par(rf) x pulse $par(p3) $par(rf3) $par(ph3) acq [expr $par(ph31) - 90] } } proc main {} { global par for {set j1 0} {$j1 < $par(N1)} {incr j1} { set par(ph1) [expr $j1*360./$par(N1)] for {set j3 0} {$j3 < $par(N3)} {incr j3} { set par(ph3) [expr $j3*360./$par(N3)] set par(ph31) [expr $par(deltap1)*$par(ph1) + $par(deltap3)*$par(ph3) ] 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 27Al: " puts [resfreq 27Al $par(proton_frequency)] } # SIMP # NP=17 # SW=4000000 # TYPE=FID # DATA # 0 0 # -0.00674569145 -2.77555756e-15 # -0.0701683573 -2.13717932e-15 # -0.202336336 -6.9388939e-16 # -0.31579521 -6.9388939e-18 # -0.348997635 4.57966998e-16 # -0.353073526 1.21430643e-15 # -0.370123 1.55431223e-15 # -0.362257396 1.55431223e-15 # -0.263066512 1.99840144e-15 # -0.14264639 -5.55111512e-16 # -0.160509069 -1.38777878e-15 # -0.2960993 -1.47104551e-15 # -0.385601835 -7.87564458e-16 # -0.384032606 -4.16333634e-17 # -0.364795489 -1.08246745e-15 # -0.372850722 2.77555756e-16 # -0.358050805 5.55111512e-17 # -0.285750698 -9.15933995e-16 # -0.237992189 -1.22124533e-15 # -0.263402609 -1.83186799e-15 # -0.286368646 -1.60982339e-15 # -0.252356509 2.22044605e-16 # -0.216217311 1.22124533e-15 # -0.264097776 2.77555756e-16 # -0.378149639 6.10622664e-16 # -0.448829159 2.77555756e-16 # -0.427384399 -7.77156117e-16 # -0.363100187 -1.16573418e-15 # -0.330836688 8.32667268e-17 # -0.331210593 1.11022302e-16 # -0.318456955 6.60929644e-16 # -0.302693366 5.55111512e-16 # -0.340565849 1.2490009e-16 # END