Dear all

I am trying to simulate Na2SO4 23Na MQMAS NMR spectra, but I don't
know why I don't get correct spectra. Could sombody please check my
file and point out what mistake I am making.

thanks a lot

spinsys {
nuclei 23Na
channels 23Na
shift 1 -8.5p 0 0 0 0 0
quadrupole 1 2 2.6e6 0.58 0 0 0
}

par {
start_operator I1z
spin_rate 16000
sw 100000
sw1 333333.33
crystal_file zcw986
gamma_angles 32
np 128
ni 128
proton_frequency 400e6
verbose 1101
}

proc pulseq {} {
global par

maxdt 1

matrix set 1 elements {{1 4}}
matrix set detect elements {{2 3}}

for {set i 1} {$i < $par(ni)} {incr i} {
reset

pulse 1.0 9.0e5 x

filter 1

delay [expr 3*$i]

pulse 1.0 9.0e5 x

set tdwell [expr 1.0e6/$par(sw)]

acq y

for {set j 1} {$j < $par(np)} {incr j} {
delay $tdwell
acq y
}
}
}

proc main {} {
global par
set f [fsimpson]
fsave $f $par(name).fid
fzerofill $f 256 256
faddlb $f 100 0 100 0
fft $f 0 0 0 0

fsave $f $par(name).spe
}