# al-split-t1-antiecho-96-phase-cycling-p2.in

# oQ -> -3Q -> 1Q -> -1Q
# approach: 96-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 -3Q-MAS sequence,
# the first-pulse duration p1 = 8.5 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     0.25
  sw               1.0e6/tsw
  np               34
  crystal_file     rep100
  gamma_angles     10
  proton_frequency 800e6
  start_operator   I1z
  detect_operator  I1c
  verbose          1101
  variable rf      90000
  variable rf3     90000
  variable p1      8.5 
  variable p3      2 
  variable N1      12
  variable N3      8
  variable deltap1 3
  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
# 0.0364136081 -8.60422844e-16
# 0.503186364 1.37390099e-15
# 2.03618896 6.52256027e-16
# 4.79112583 -2.58126853e-15
# 8.05606263 -1.52655666e-15
# 10.4944391 1.38777878e-15
# 11.0144712 -2.66453526e-15
# 9.57874264 7.77156117e-16
# 7.22066301 2.55351296e-15
# 5.36968889 4.82947016e-15
# 4.98229825 2.60902411e-15
# 6.04271749 1.11022302e-15
# 7.79020551 1.27675648e-15
# 9.36307958 3.73312492e-15
# 10.2869862 5.88591675e-15
# 10.5268108 6.68909372e-15
# 10.1899754 8.16013923e-15
# 9.25035811 5.27355937e-15
# 7.59049258 2.66453526e-15
# 5.30319099 -1.83186799e-15
# 2.91265816 -3.88578059e-15
# 1.21603356 -8.04911693e-15
# 0.820179658 -4.99600361e-15
# 1.72807057 -6.30051566e-15
# 3.30825661 -7.18175519e-15
# 4.72163398 -8.71525074e-15
# 5.4651558 -7.49400542e-15
# 5.60355679 -8.18789481e-15
# 5.56827051 -4.63518113e-15
# 5.71234177 -2.22044605e-15
# 6.01920852 -1.49880108e-15
# 6.22590969 2.42861287e-15
# 6.14102925 4.47558657e-16
# END