;hcchtocsy.fa
;3D HCCH TOCSY with PFG
;Kay et al., J. Magn. Reson. B 101, 333-337 (1993)
;Bruker Avance/Xwin-nmr version
;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu)
;
;  $Id: hcchtocsy.fa,v 1.1 1999/08/10 20:46:21 abild Exp abild $
;
;  Disclaimer: This pulse program is provided "as is" for your
;  information. Support for the use of this pulse program is only
;  provided to users of the National Magnetic Resonance Facility
;  at Madison (NMRFAM). Users of this pulse program employ it at
;  their own risk. Neither NMRFAM nor University of Wisconsin-Madison
;  are liable for any physical or other damage incurred during the
;  use of this pulse program.
;
;f1: 1H 4.7 ppm, f2: 15N at 118 ppm, f3: 13C at 43 ppm
;Gradient program: fahcchtocsy
;
;p2 90 N at pl2
;p3 90 C at pl3
;p5 180 CO SEDUCE1 shape at power sp5, offset CO-43 ppm
;p10 1 ms 1H purge pulse at pl10
;p31 90 C at pl14 for isotropic mixing
;13C Waltz-16 or GARP using PCPD at pl13 (cpd3)
;H1 evolution:
;   SW(H)=1/2*in0
;   l4 complex points
;C13 evolution:
;  in10, SW(C)=1/2*in10
;  l6 complex points
;  Initial delay is in10: gives (90,-180) phase distortion in F1.
;ns=8, 16, ..., ds=8, 16,...

;
;Recommendations for gradients:
;p15=500u
;p16=2.0m
;p17=200u
;p18=7.0m
;p19=4.4m
;cnst21=8G/cm (12%)
;cnst22=15G/cm (22%)
;cnst23=10G/cm (14%)
;cnst24=30G/cm (22% w/ GRASP-III)
;cnst25=30G/cm (22% w/ GRASP-III)
;cnst30=1.8
;
;Define one or more of the following options to tailor this pulse program
; to your specific needs.
;
;#define ONE_D			;uncomment for 1D version
#define H1_EVOL			;uncomment for 3D and H1-N15 2D version
#define C13_EVOL		;uncomment for 3D and H1-C13 2D version
;
;Select an isotropic mixing scheme
;#define DIPSI2			;taum = 115.112*p31*l9
;#define DIPSI2RC		;taum = 172.668*p31*l9
#define DIPSI3			;taum = 217.336*p31*l9
;#define FLOPSY8		;not available yet
;
;Define channel assignments:
#define H f1
#define N f2
#define C f3
;
;sanity checks
;
#ifdef ONE_D
#undef H1_EVOL
#undef C13_EVOL
#endif
;
define delay TAUA
define delay TAUB
define delay TAUC
define pulse H1_90
define pulse H1_180
define pulse N15_90
define pulse N15_180
define pulse C13_90
define pulse C13_180
define pulse CO_180
"H1_90=p1"
"H1_180=p1*2"
"N15_90=p2"
"N15_180=p2*2"
"C13_90=p3"
"C13_180=p3*2"
"CO_180=p5"
"d11=100m"
"d12=10u"
"d13=5u"
"d14=40u"
"d16=300u"
"d4=475u"
"TAUA=1.6m-p15"
"TAUB=d4-p17-CO_180/2"
"TAUC=1.1m-p15"

"d0=d13"
#ifdef C13_EVOL
  "d10=(in10/2)+d13"
#else
  "d10=d13"
#endif
"d23=C13_90*4+d13*4"
"d24=H1_90+N15_90+d13"
"d29=C13_90-H1_90"



#include <Avance.incl>
#include <Gradfa.incl>

1 ze
2 d11 do:C
  d14
3 d14
  d14
  d14
4 d14
  d14
5 d14
  d14
  d14
6 d14 LOCKH_OFF
  d1 pl1:H pl2:N pl3:C
  d14 LOCKH_ON
;------------------ INEPT to C and H1_EVOL -------------------
  (H1_90 ph11):H
  d13
  GRADIENT15(cnst21)
  TAUA
  d0
  (C13_90 ph0 d13 C13_180 ph1 d13 C13_90 ph0):C
  d0
  (H1_180 ph0):H
  d13
  GRADIENT15(cnst21)
  TAUA
  d23
  (H1_90 ph1):H
  d13
  GRADIENT16(cnst22)
  d16                                                       
;------------------ Refocus C and C13_EVOL -------------------
  (C13_90 ph12):C
  d10
  (N15_180 ph0):N
  d13
  GRADIENT17(cnst23)
  TAUB pl0:C
  (CO_180:sp5 ph0):C
  d13
  GRADIENT17(cnst23)
  TAUB pl3:C
  (H1_180 ph0):H
  d10
  (C13_180 ph0):C
  d13
  GRADIENT17(cnst23)
  TAUB pl0:C
  d24
  (CO_180:sp5 ph0):C
  d13
  GRADIENT17(cnst23)
  TAUB pl3:C
  d24
  (C13_90 ph1):C
  d13
  d12 pl14:C
;------------------ C13 isotropic mixing ----------------
9 d13
#ifdef DIPSI2
#include <dipsi2C.incl>
#endif
#ifdef DIPSI3
#include <dipsi3C.incl>
#endif
  lo to 9 times l9
  d13
;------------- Purge water with SLx,SLy and gradients --------
  d12 pl10:H
  (p10*2 ph0 d13 p10*1.4 ph1):H
  d13
  GRADIENT18(cnst24)
  d16 pl1:H
  (H1_90 ph0):H
  d13
  GRADIENT19(cnst25)
  d16 pl3:C
;----------------------- INEPT back to H ---------------------
  (C13_90 ph1):C
  d13
  GRADIENT15(cnst21)
  TAUC
  (C13_180 ph0):C (d29 H1_180 ph0):H
  d13
  GRADIENT15(cnst21)
  TAUC
  (C13_90 ph0):C
  (H1_90 ph0):H
  d13
  GRADIENT15(cnst21)
  TAUA
  (C13_180 ph0):C (d29 H1_180 ph0):H
  d13
  GRADIENT15(cnst21)
  TAUA
;----- Suppress water and C decoupling sideband modulation ---
  (H1_90 ph0):H
  (C13_90 ph0):C
  d13
  (C13_90 ph13):C
  d13
  d12 pl13:C
  go=2 ph31 cpds3:C
#ifdef ONE_D
  d11 do:C wr #0 
#else
  d11 do:C wr #0 if #0 zd
#endif
#ifdef H1_EVOL
  d14 ip11
  lo to 3 times 2
  d14 id0 
  d14 ip31
  d14 ip31
  lo to 4 times l4
  d14 rd0
#endif
#ifdef C13_EVOL
  d14 ip12 
  lo to 5 times 2
  d14 id10
  d14 ip31
  d14 ip31
  lo to 6 times l6
#endif
  d14 LOCKH_OFF

exit

ph0=0
ph1=1
ph2=2
ph3=3
ph11=0 2
ph12=0 0 2 2
ph13=0 0 0 0 2 2 2 2
ph31=0 2 2 0