# al-zfilter-amplitude-12p2p3-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 = 1.5 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               34
  crystal_file     rep100
  gamma_angles     10
  proton_frequency 800e6
  start_operator   12*I1z
  detect_operator  I1c
  verbose          1101
  variable rf      90000
  variable rf3     9300
  variable p1      1.5 
  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 { 2 -4}
  matrix set 20 coherence {-2  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
# -0.0212311099 3.74982259e-05
# -0.154776414 0.000265308698
# -0.441123732 0.000774920537
# -0.835713498 0.00155913776
# -1.2587889 0.00246233274
# -1.63698433 0.00318429426
# -1.90848128 0.00349223229
# -2.0239681 0.00343503363
# -1.95306993 0.00326388234
# -1.69690673 0.00315521535
# -1.29705516 0.00305178834
# -0.808109771 0.00270864168
# -0.27204195 0.00183631191
# 0.260614052 0.000245495709
# 0.715871283 -0.00204924271
# 1.02649106 -0.00475456337
# 1.16965098 -0.00730188629
# 1.1716547 -0.00904791296
# 1.07949608 -0.00960765941
# 0.931278958 -0.00906364737
# 0.749377729 -0.00790646415
# 0.548108026 -0.00679792611
# 0.332675542 -0.00631911432
# 0.0941856144 -0.00677585216
# -0.167437195 -0.00807171137
# -0.41269871 -0.00969297028
# -0.573209355 -0.0108852588
# -0.588734148 -0.0110044797
# -0.437525833 -0.00983236571
# -0.149671384 -0.00764657893
# 0.20819562 -0.00506096234
# 0.557492159 -0.00276197413
# 0.814424554 -0.00124439645
# END