# al-shifted-echo-amplitude-selective-40-cycling-p1.in
# approach: 40-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 second-pulse duration p2 = 4 micro seconds
# the third-pulse duration p3 = 2 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     9300
  variable p2      4
  variable p3      2
  variable NA      10
  variable NC      4
  variable deltapA -5
  variable deltapC 2
}

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

  acq -y
  for {set i 1} {$i < $par(np)} {incr i} {
    pulse $par(tsw) $par(rf)  $par(phA)
    store 2
    pulse $par(p2)  $par(rf)  $par(phB)
    pulse $par(p3)  $par(rf3) $par(phC)
    acq                 [expr $par(phREC) - 90]
    reset
    prop 2
  }
}

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
# 4.67750352e-10 -9.80981962e-12
# 2.1600317e-07 6.58150201e-10
# 6.97916628e-06 8.41767289e-08
# 7.27948632e-05 1.2687444e-06
# 0.000395923677 8.48360795e-06
# 0.00139044448 3.45473377e-05
# 0.00353265456 9.92390208e-05
# 0.00694414416 0.000218745186
# 0.0110187674 0.000391440298
# 0.0145153114 0.000595039851
# 0.0161814141 0.000803731702
# 0.0154764758 0.00101480504
# 0.0128514965 0.00126219048
# 0.00941835071 0.00160316529
# 0.00630420268 0.00208581127
# 0.0041292242 0.00271822963
# END