# al-shifted-echo-amplitude-80-cycling-p3.in
# approach: 80-phase cycling the first and the third pulses and the receiver

# spin-5/2 echo and antiecho amplitude optimization
# versus the first-pulse duration
# in three-pulse shifted-echo amplitude-modulated 5Q-MAS sequence,
# the first-pulse duration p1 = 4 micro seconds
# the third-pulse duration p2 = 4 micro seconds

spinsys {
  channels 27Al
  nuclei   27Al
  quadrupole 1 2 3e6 0 0 0 0
}

par {
  spin_rate        5000
  variable tsw     0.25
  sw               1.0e6/tsw
  np               17
  crystal_file     rep10
  gamma_angles     10
  proton_frequency 800e6
  start_operator   I1z
  detect_operator  I1c
  verbose          1101
  variable rf      90000
  variable rf3     93000
  variable p1      4
  variable p2      4
  variable NA      10
  variable NC      8
  variable deltapA -5
  variable deltapC 2
}

proc pulseq {} {
  global par
  maxdt $par(tsw)

  acq $par(phREC)
  pulse  $par(p1) $par(rf) $par(phA)
  pulse  $par(p2) $par(rf) $par(phB)

  for {set i 1} {$i < $par(np)} {incr i} {
    pulse $par(tsw) $par(rf3) $par(phC)
    acq                 [expr $par(phREC) - 90]
  }
}

proc main {} {
  global par

  set par(phB)   0

  for {set jC 0} {$jC < $par(NC)} {incr jC} {
    set par(phC)   [expr $jC*360./$par(NC)]

    for {set jA 0} {$jA < $par(NA)} {incr jA} {
      set par(phA)   [expr $jA*360./$par(NA)]
      set par(phREC) [expr $par(deltapA)*$par(phA) + $par(deltapC)*$par(phC)]

      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
# 0.051427886 0.002709269
# 0.198816033 0.00950478756
# 0.397062211 0.0170613413
# 0.573585254 0.021409775
# 0.656413587 0.0199019429
# 0.596559192 0.0129529309
# 0.385093368 0.00422656076
# 0.0651817992 -0.00124818717
# -0.274346597 3.62668158e-05
# -0.536445746 0.0080823175
# -0.669574487 0.0195039557
# -0.69813275 0.0294763322
# -0.702560592 0.0342884559
# -0.764620248 0.0332050802
# -0.921220149 0.0288143524
# -1.15403842 0.025670525
# END