# 1 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1"
;spfgsenoezs2.1
;avance-version
;1D NOESY using selective refocussing with two shaped pulses
;dipolar coupling may be due to noe or chemical exchange.
;H. Kessler, H. Oschkinat, C. Griesinger & W. Bermel,
;   J. Magn. Reson. 70, 106 (1986)
;J. Stonehouse, P. Adell, J. Keeler & A.J. Shaka, J. Am. Chem. Soc 116,
;   6037 (1994)
;K. Stott, J. Stonehouse, J. Keeler, T.L. Hwang & A.J. Shaka, 
;   J. Am. Chem. Soc 117, 4199-4200 (1995)

;Tim C 2/2008 Using two nulling 180s and ZQC filter at end of mixing time

;Includes adiabatic pulse/gradient combination for ZQC suppression
;Thrippleton & Keeler, Angew. Chem. Int. Ed., 2003, 42, 3938-3941.
;Tim C 10/2007 updated to match Bruker format
;Tim C 11/2008 matches Bruker ZQS nomenclature 
;
;Jon Y 21/07/2020 added 1 acquisition flag
# 21 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1"
;$CLASS=HighRes
;$DIM=1D
;$TYPE=
;$SUBTYPE=
;$COMMENT=

;$OWNER=dp-nmrgroup
# 1 "C:/Bruker/TopSpin3.6.2/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance3.incl
;   for AV III
;
;avance-version (13/06/17)
;
;$CLASS=HighRes Incl
;$COMMENT=

# 169 "C:/Bruker/TopSpin3.6.2/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: Avance3.incl,v 1.10.2.2 2013/08/30 09:43:33 ber Exp $
# 28 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1" 2

# 1 "C:/Bruker/TopSpin3.6.2/exp/stan/nmr/lists/pp/Grad.incl" 1
;Grad2.incl  -  include file for Gradient Spectroscopy
;   for TCU3
;
;avance-version (07/01/17)
;
;$CLASS=HighRes Incl
;$COMMENT=

# 27 "C:/Bruker/TopSpin3.6.2/exp/stan/nmr/lists/pp/Grad.incl"
define list<gradient> EA=<EA>


# 31 "C:/Bruker/TopSpin3.6.2/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: Grad2.incl,v 1.14 2012/01/31 17:49:21 ber Exp $
# 29 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1" 2


# 32 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1"
"p2=p1*2"


"d21=d8*0.3-p16-d16-3u"
"d22=d8*0.5-p16*2-d16*2-6u"
"d23=d8*0.2-p16-d16*2-p32-53u"
# 40 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1"
"spoff2=bf1*(cnst21/1000000)-o1"


# 1 "mc_line 44 file C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1 exp. def. part of mc cmd. before ze"
; dimension 1D; AQ_mode 
define delay MCWRK
define delay MCREST
"MCREST = 30m - 30m"
"MCWRK = 0.333333*30m"

    dccorr
# 44 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1"
# 44 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1"
1 ze
# 1 "mc_line 44 file C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1 exp. def. of mc cmd. after ze"
# 45 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1"
# 1 "mc_line 45 file C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1 exp. start label for mc cmd."
2 MCWRK  * 2
LBLF0, MCWRK
  MCREST
# 46 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1"
  20u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  d1
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  (p1 ph1):f1
  3u
  p16:gp1
  d16 pl0:f1
  3u
  p12:sp2:f1 ph2:r
  3u
  p16:gp1
  d16 pl1:f1
  3u
  (p1 ph4):f1
  d21
  p16:gp3
  d16
  3u
  (p2 ph5):f1
  3u
  p16:gp3*-1
  d16
  d22
  p16:gp4
  d16
  3u
  (p2 ph5):f1
  3u
  p16:gp4*-1
  d16
  d23
  20u pl0:f1
  10u gron0		;ZQC suppression
  (p32:sp29 ph7):f1
  20u groff
  d16 pl1:f1
  (p1 ph6):f1
  go=2 ph31
# 1 "mc_line 84 file C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1 exp. mc cmd. in line"
  MCWRK wr #0
  MCWRK zd
  lo to LBLF0 times td0

# 85 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1"
  20u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
exit


ph1=0 2 
ph2=0 0 1 1 2 2 3 3
ph4=0
ph5=0
ph6=0
ph7=0
ph31=0 2 2 0 0 2 2 0 
# 98 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1"
;pl0 : 120dB
;pl1 : f1 channel - power level for pulse (default)
;sp2: f1 channel - shaped pulse
;sp29: f1 channel - shaped pulse (adiabatic sweep)
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p12: f1 channel - 180 degree shaped pulse
;p16: homospoil/gradient pulse                            [1 msec]
;p32: f1 channel - 180 shaped adiabatic pulse
;		smoothed CHIRP
;d1 : relaxation delay; 1-5 * T1
;d8 : mixing time
;d16: delay for homospoil/gradient recovery
;d21: d8*0.3-p16-d16-3u
;d22: d8*0.5-p16*2-d16*2-6u
;d23: d8*0.2-p16-d16*2-p32-53u
;NS: 2 * n
;DS: 4 

;cnst21: chemical shift for selective pulse (offset, in ppm)

# 120 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1"
;choose p12 according to desired selectivity
;the flip-angle is determined by the amplitude
;set O1 on resonance on the multiplet to be excited or use spoffs

;use gradient ratio:   gp 0 : gp 1 : gp 3 : gp 4
;                      ~10  :  17  :  40  :  25

;for z-only gradients:
;gpz0: ca. 10 %
;gpz1: 17%
;gpz3: 40%
;gpz4: 25%
# 133 "C:/NMR/data/mfgroup/nmr/_JonY/pp/spfgsenoezs2.1"
;use gradient files:   
;gpnam1: SINE.100
;gpnam2: SINE.100
;gpnam3: SINE.100
;gpnam4: SINE.100
