;fhsqc.fa
;2D 15N-FHSQC, with optional C13 decoupling and SEDUCE-1 decoupling.
;This version uses the gp style gradients.
;Mori et al., J. Magn. Reson. B 108, 94-98 (1995)
;Bruker Avance/Xwin-nmr version
;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu)
;
;  $Id: fhsqc.fa,v 1.6 2001/11/28 17:25:15 abild Exp abild $
;
;  Disclaimer: This pulse program is provided "as is" for your
;  information. Support for the use of this pulse program is
;  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, f2: 15N, f3: 13C  (channel assignments may be changed below)
;o1p: 4.7ppm
;o2p: 118ppm
;o3p:: 46ppm
;
;p1 90 H1 at pl1
;p2 90 N15 at pl2
;p3*2 C13 180 @pl3 null excit. @131p (p3 ~21.8u@600)
;d21: 1/(2*dNu), dNu=Nu(NH)-Nu(H2O) (~160u)
;N15 Waltz-16 PCPD2 at pl12, cpdprg2
;C'  Compensated SEDUCE1 decoupling of C', using pcpd3 at sp3, 
;    shape seduce1c5/6, offset 0, cpdprg3 waltz16sp3.
;N15 evolution:
;   SW(N)=1/2*in0,
;   l4 complex points, "1 TD" = 2*l4,
;   initial delay = in0; Phase correction: ph0=90, ph1=-180.
;ns=(2,) 4,8,... ,ds=4,8,... (full phase cycle is 4 steps).
;
;Recommendations for gradients, three axis (single axis):
;gpx1:   5% (0%)
;gpy1:   5% (0%)
;gpz1:   5% (20%)
;gpz2:   6% (6%)
;gpx3:  54%, adjust for ma (0%)
;gpz3:  30% (55%)
;gpx4:  22% (0%)
;gpz4:   0% (22%)
;gpnam1: sine.50
;gpnam2: sine.100
;gpnam3: sine.100
;gpnam4: sine.100

;#define ONE_D		; uncomment for 1D experiment
#define C13_LABEL	; uncomment for C13 decoupling
;#define SEDUCE		; uncomment for optional C' SEDUCE-1 decoupling
#define EXPTCORR	; uncomment if you want "expt" to report
			; the correct exp. time (works with XWIN-NMR 2.x)
;
;Define channel assignments:
#define H f1
#define N f2
#define C f3
;
;You shouldn't have to worry about anything beyond this point :-)
;
#ifndef C13_LABEL
#undef SEDUCE
#endif
;
define delay TAUA
define delay TAUB
define delay TAUW
define delay TAUW1
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 delay CEN_HC1
define delay CEN_HN1
define pulse GRAD1
define pulse GRAD2
define pulse GRAD3
define pulse GRAD4
"d11=100m"                      ;disk i/o
"d13=5u"                        ;a short delay
"d14=40u"                       ;ip,id etc.
"d16=300u"                      ;gradient recovery
"H1_90=p1"
"H1_180=H1_90*2"
"N15_90=p2"
"N15_180=N15_90*2"
"d6=H1_90"
;
"GRAD1=500u"
"GRAD2=1.0m"
"GRAD3=700u"
"GRAD4=700u"

"TAUA=2.25m-GRAD1-d16-d13"
"TAUW=d21"
"TAUB=2.25m-TAUW*2.5-H1_90*2.385-GRAD3-d16-d13"
"TAUW1=(TAUW/2)-N15_90"
"CEN_HN1=N15_90-H1_90"

#ifdef C13_LABEL
  "C13_90=p3"
  "C13_180=C13_90*2"
  "d12=10u"			;power switching etc.
#endif

#ifndef ONE_D
  
#ifdef C13_LABEL
  "CEN_HC1=C13_90-H1_90"
#ifdef SEDUCE
    "d0=(in0-N15_90*1.273-C13_180-d13*4-d12*2)/2"
#else
    "d0=(in0-N15_90*1.273-C13_180-d13*2)/2"
#endif
#else
  "d0=(in0-N15_90*1.273-H1_180-d13*2)/2"
;  "d0=(in0*2-N15_90*1.273-H1_180-d13*2)/2"
#endif

#endif

#ifdef EXPTCORR
  "d31=2*TAUA+2*TAUB+4*TAUW+2*TAUW1+2*(GRAD1+GRAD2+GRAD3)+GRAD4"
#endif

#ifdef SEDUCE
#define SED_ON d13 \n d12 pl0:C \n d13 cpds3:C
#define SED_OFF d13 do:C \n d12 pl3:C \n d13
#else
#define SED_ON d13
#define SED_OFF d13
#endif

#include <Avance.incl>
#include <Grad.incl>

1 ze
2 d14 do:N
  d11 LOCKH_OFF
3 d14
  d14
  d14
4 d13
#ifdef EXPTCORR
#include <faexptcorr.gc>
#endif
  d1 pl1:H pl2:N
#ifdef C13_LABEL
  d12 pl3:C
#endif
  d13 LOCKH_ON
  d13 UNBLKGRAMP
  (N15_90 ph0):N
  d13
  GRAD4:gp4			;700u, 15G/cm, x
  d16
  (H1_90 ph0):H
  d13
  GRAD1:gp1			;500u, 4G/cm, x,y,z
  d16
  TAUA
  (CEN_HN1 H1_180 ph0):H (N15_180 ph0):N
  TAUA
  d13
  GRAD1:gp1			;500u, 4G/cm
  d16
  (H1_90 ph1):H
  d13
  GRAD2:gp2			;1.0m, 4G/cm
  d16 
#ifdef ONE_D
  (N15_90 ph11):N
  d13
  (H1_180 ph0):H
  d13
  (N15_90 ph12):N
;  (N15_180 ph12):N ; for 15N 90 calib. only, null signal
#else
  SED_ON
  (N15_90 ph11):N
  d0 
  SED_OFF
#ifdef C13_LABEL
  (CEN_HC1 H1_180 ph0):H (C13_180 ph0):C
#else
  (H1_180 ph0):H
#endif
  SED_ON
  d0 
  (N15_90 ph12):N
  SED_OFF
#endif
  d13
  GRAD2:gp2			;1.0m, 4G/cm
  d16 
  (H1_90 ph2):H
  d13
  TAUB
  GRAD3:gp3			;700u, 40G/cm
  d16
  (H1_90*0.231 ph1):H
  TAUW
  (H1_90*0.692 ph1):H
  TAUW
  (H1_90*1.462 ph1):H
  TAUW1
  (N15_180 ph0):N
  TAUW1
  (H1_90*1.462 ph3):H
  TAUW
  (H1_90*0.692 ph3):H
  TAUW
  (H1_90*0.231 ph3):H
  d13
  GRAD3:gp3			;700u, 40G/cm
  d16 pl12:N
  TAUB
  d6 BLKGRAMP
  go=2 ph31 cpd2:N

#ifdef ONE_D
  d11 do:N wr #0
  d13 LOCKH_OFF
#else
  d11 do:N wr #0 if #0 zd
  d13 LOCKH_OFF
  d14 ip11
  lo to 3 times 2
  d14 id0 
  d14 ip31
  d14 ip31
  lo to 4 times l4
#endif

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