# na-cogwheel_23_-14_-11_-10_0.in

# approach: selection of the desired coherence (3Q) after the first pulse
#           and (1Q) after the second pulse with cogwheel phase cycling 
#           N = 23, wA = -14, wB = -11, wC = -10, and wRec = 0
#           Cog23(-14, -11, -10, 0)

# spin-3/2 anti echo amplitude optimization
# versus the first-pulse duration
# in three-pulse split-t1 3QMAS,
# the second-pulse duration p2 = 4 micro seconds
# the third-pulse duration p3 = 2 micro seconds

spinsys {
  channels 23Na
  nuclei   23Na
  quadrupole 1 1 1e6 1 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     93000
  variable p2      4 
  variable p3      2 
  variable N       23 
  variable wA      -14 
  variable wB      -11 
  variable wC      -10
}

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

  acq -x
  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                       -y
    reset
    prop 2
  }
}

proc main {} {
  global par

  for {set j 0} {$j < $par(N)} {incr j} {

    set par(phA)   [expr $j*$par(wA)*360./$par(N)]
    set par(phB)   [expr $j*$par(wB)*360./$par(N)]
    set par(phC)   [expr $j*$par(wC)*360./$par(N)]

    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 23Na: "
  puts [resfreq 23Na $par(proton_frequency)]
}

# SIMP
# NP=17
# SW=4000000
# TYPE=FID
# DATA
# 0 0
# -2.05588265e-05 4.82873463e-11
# -0.000619528565 5.49610357e-11
# -0.00425033403 5.94895244e-11
# -0.015561427 6.03544437e-11
# -0.0398291138 5.67218494e-11
# -0.0806927982 4.87970775e-11
# -0.138941008 3.76269016e-11
# -0.213223134 2.45905518e-11
# -0.301964835 1.09361409e-11
# -0.404752632 -2.37954101e-12
# -0.521872148 -1.45631285e-11
# -0.652226709 -2.47618592e-11
# -0.791301451 -3.20208859e-11
# -0.931003982 -3.54349328e-11
# -1.06193022 -3.44169693e-11
# -1.17683433 -2.88570973e-11
# END