# al-zfilter-5Q-amplitude-40p2p3-filtering-p1.in

# approach: filtering the desired coherences after the first pulse
#           and after the second pulse, three times

# spin-5/2 echo and antiecho amplitude optimization
# versus the first-pulse duration
# in three-pulse z-filtered 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     rep100
  gamma_angles     10
  proton_frequency 800e6
  start_operator   40*I1z
  detect_operator  I1c
  verbose          1101
  variable rf      90000
  variable rf3     9300
  variable p2      4 
  variable p3      2 
  variable nb1     0 
  variable nb2     0 
}

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

  matrix set 1 coherence {-1}
  matrix set 2 coherence {1}
  matrix set 3 coherence {-5  5}
 
  matrix set 10 coherence {4}
  matrix set 20 coherence {-4}
  matrix set 30 coherence {0}

  acq -y        
  for {set i 1} {$i < $par(np)} {incr i} {
    pulse $par(tsw) $par(rf) x
    store 2
    filter $par(nb1)
    pulse $par(p2)  $par(rf) x
    filter $par(nb2)
    pulse $par(p3) $par(rf3) x
    acq -y
    reset
    prop 2
  }
}

proc main {} {
  global par

  for {set j 1} {$j < 4} {incr j} {
    set par(nb1) $j
    set par(nb2) [expr 10*$j]

    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
# 0.000938579646 2.47794899e-05
# 0.00186804883 5.49191788e-05
# 0.00280815852 8.93708776e-05
# 0.00370538301 0.000125992575
# 0.00417909499 0.00016204653
# 0.00324368168 0.000195312892
# -0.000777348482 0.000225607292
# -0.0100070334 0.000256476675
# -0.0266727269 0.000296708592
# -0.0530621883 0.000360676764
# -0.0916751025 0.00046589654
# -0.144953008 0.000627195685
# -0.214231986 0.000849771768
# -0.298335351 0.0011251499
# -0.392726623 0.00143239105
# -0.489873623 0.00174336513
# END