# al-split-t1-5Q-antiecho-selective-80-phase-cycling-p1.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 first-pulse duration
# in three-pulse split-t1 phase-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 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 p2      4 
  variable p3      2 
  variable N1      20
  variable N3      4
  variable deltap1 -5
  variable deltap3 2
}

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

  acq $par(ph31)
  for {set i 1} {$i < $par(np)} {incr i} {
    pulse $par(tsw) $par(rf)  $par(ph1) 
    store 2
    pulse $par(p2)  $par(rf)  x
    pulse $par(p3)  $par(rf3) $par(ph3) 
    acq             [expr $par(ph31) - 90]
    reset
    prop 2
  }
}

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
# -8.69875378e-08 0
# -2.36234994e-05 0
# -0.000481525839 -8.8817842e-16
# -0.00372181289 3.33066907e-16
# -0.0152603681 1.91513472e-15
# -0.0409321959 1.77635684e-15
# -0.0818707172 1.99840144e-15
# -0.129835311 4.4408921e-16
# -0.169923833 -1.88737914e-15
# -0.189347772 -1.99840144e-15
# -0.182954911 -1.34614542e-15
# -0.153868798 -3.05311332e-16
# -0.110628875 6.10622664e-16
# -0.0632995067 1.17961196e-15
# -0.019617513 1.17961196e-15
# 0.0177611028 -2.77555756e-17
# 0.048726404 -8.32667268e-16
# 0.0699412241 -1.11022302e-15
# 0.0738815772 -9.99200722e-16
# 0.0546809973 -8.8817842e-16
# 0.0115555146 2.22044605e-16
# -0.0520330339 8.04911693e-16
# -0.128581623 1.83186799e-15
# -0.206851442 1.69309011e-15
# -0.274389852 1.52655666e-15
# -0.323471451 1.24206201e-15
# -0.352904594 7.70217223e-16
# -0.366060615 3.1918912e-16
# -0.368114663 8.60422844e-16
# -0.362257396 1.66533454e-15
# -0.350482956 1.88737914e-15
# -0.33448021 1.33226763e-15
# -0.316624935 1.05471187e-15
# END