# al-zfilter-amplitude-selective-40-cycling-amoureux-p3.in
# approach: 40-phase cycling the second and the third pulses and the receiver

# spin-5/2 echo and antiecho amplitude optimization
# versus the third-pulse duration
# in three-pulse z-filtered 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     rep100
  gamma_angles     10
  proton_frequency 800e6
  start_operator   I1z
  detect_operator  I1c
  verbose          1101
  variable rf      90000
  variable rf3     9300
  variable p1      4
  variable p2      4
  variable NB      10
  variable NC      4
  variable deltapB -5
  variable deltapC 1
}

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

  acq $par(phREC)
  pulse  $par(p1) $par(rf) x
  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 jB 0} {$jB < $par(NB)} {incr jB} {
      set par(phB)   [expr $jB*360./$par(NB)]
      set par(phREC) [expr $par(deltapB)*$par(phB) + $par(deltapC)*$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
# -0.0611014363 2.64934828e-05
# -0.122301417 0.000106297699
# -0.183711003 0.000239698501
# -0.245337073 0.000427241591
# -0.307025807 0.000670161845
# -0.368513999 0.000970098579
# -0.429531686 0.00132806552
# -0.489873623 0.00174336513
# -0.549403583 0.00221341692
# -0.608011984 0.00273477192
# -0.665578167 0.00330450592
# -0.72197349 0.00392098789
# -0.777091582 0.00458376334
# -0.830866818 0.00529299093
# -0.883262364 0.00604903596
# -0.934240549 0.00685246243
# END