# al-zfilter-3Q-amplitude-24p2p3-filtering-p2.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 second-pulse duration
# in three-pulse z-filtered amplitude-modulated 3Q-MAS sequence,
# the first-pulse duration p1 = 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   24*I1z
  detect_operator  I1c
  verbose          1101
  variable rf      90000
  variable rf3     9300
  variable p1      4
  variable p3      2 
  variable nb1     0 
  variable nb2     0 
}

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

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

  pulse  $par(p1) $par(rf) x
  store 10

  reset
  acq -y        
  for {set i 1} {$i < $par(np)} {incr i} {
    reset
    prop 10
    filter $par(nb1)
    pulse [expr ($i)*$par(tsw)] $par(rf) x 
    filter $par(nb2)
    pulse $par(p3) $par(rf3) x
    acq -y
    }
}

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
# -0.168695035 0.00013073287
# -1.18887945 0.00093182836
# -3.2361459 0.00258484338
# -5.69997851 0.00468193621
# -7.63468555 0.0063986615
# -8.29501332 0.00684337733
# -7.41388928 0.00564843304
# -5.23017433 0.00332473703
# -2.41298507 0.000900754173
# 0.124580187 -0.000790069765
# 1.58438999 -0.0014535718
# 1.69829151 -0.00118778328
# 0.87229906 -0.000245287225
# -0.133026979 0.00102638481
# -0.698040091 0.00214670118
# -0.614468691 0.00263111477
# END