# al-split-t1-echo-selective-48-phase-cycling-p3.in

# oQ -> 3Q -> (5Q, 1Q, -3Q) -> -1Q
# approach: 48-phase cycling the first pulse, the third pulse and the receiver

# spin-5/2 echo amplitude optimization
# versus the third-pulse duration
# in three-pulse split-t1 phase-modulated 3Q-MAS sequence,
# the first-pulse duration p1 = 9 micro seconds
# the second-pulse duration p2 = 1 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     rep10
  gamma_angles     10
  proton_frequency 800e6
  start_operator   I1z
  detect_operator  I1c
  verbose          1101
  variable rf      90000
  variable rf3     9000
  variable p1      9 
  variable p2      1
  variable N1      12
  variable N3      4
  variable deltap1 -3
  variable deltap3 2
}

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

  acq $par(ph31)
  pulse  $par(p1) $par(rf) $par(ph1)
  pulse  $par(p2) $par(rf) x

  for {set i 1} {$i < $par(np)} {incr i} {
    pulse $par(tsw) $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
# 0.000784642169 6.66133815e-16
# 0.00518320276 -1.80411242e-16
# 0.0147923086 -5.55111512e-17
# 0.028986108 -2.35922393e-16
# 0.0451360345 1.2490009e-16
# 0.0593117502 4.02455846e-16
# 0.0674405239 -1.11022302e-16
# 0.066458608 3.05311332e-16
# 0.0549443275 -4.4408921e-16
# 0.0331544626 -1.01307851e-15
# 0.00252743246 -8.8817842e-16
# -0.0351379956 -8.04911693e-16
# -0.0784432135 -6.38378239e-16
# -0.126829055 -3.33066907e-16
# -0.180577841 -9.71445147e-16
# -0.240407921 -1.2490009e-15
# -0.306940843 -1.44328993e-15
# -0.380322405 -1.33226763e-15
# -0.460107536 -1.19348975e-15
# -0.545447108 -1.16573418e-15
# -0.635462694 -1.55431223e-15
# -0.729561243 -1.38777878e-15
# -0.827557313 -1.2490009e-15
# -0.929589025 -1.60982339e-15
# -1.03584542 -1.77635684e-15
# -1.14623852 -1.94289029e-15
# -1.26022196 -1.77635684e-15
# -1.37685312 -1.85962357e-15
# -1.49505402 -1.83186799e-15
# -1.61394776 -2.2759572e-15
# -1.73313384 -1.94289029e-15
# -1.85278532 -2.1649349e-15
# -1.97350057 -2.19269047e-15
# END