;kp_rtPS_gHSQC_ts4
; Real-time pure shift gradient HSQC (multiplicity edited) with BIRD 
;
; Developed by 
; NMR Methodology Group
; University of Manchester, UK
; Oct, 2017 Peter Kiraly
;
; This version includes: 
;		- extended phase cycle to enforce CTP in pure shift (4*n scans are recommended)
; ns= 1 (works), 2 (improved 12C-suppression), 4 (improved pure shift CTP), 8,16,32 (minor improvements)
;		- MLEV-16 chunk-to-chunk phase sequencing
;	  - WaveMaker compatible for automatic setup of 13C-decoupling
;   - variable PFG amplitudes from chunk-to-chunk up to 4 different gradient pairs to reduce accidental refocusing
;   - lock hold and gradient blanking 
;
; References:
; P. Kiraly et al, Magn.Reson.Chem. 2017, accepted, pure shift special issue DOI: 10.1002/mrc.4704
; P. Kiraly et al, J.Biomol.NMR. 2015, Vol. 62, 43-52. (DOI: 10.1007/s10858-015-9913-z)
; L. Paudel et al, Angew.Chem.Int.Ed. 2013, Vol. 125, 11830-11833. (DOI: 10.1002/anie.201305709)


;cnst50: sweep-width [kHz]
;cnst51: duration of the low-level W40 pulse [us]
;cnst53: adiabaticity factor of the low-level W40 pulse [Q=2.0]

;sp15(pcpd2,pl12):wvm:kp_W40:f2 cawurst-40(cnst50 kHz, cnst51 us; Q=cnst53 SUCYC=[p5]m4) ss=0.5us;

;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
;$RECOMMEND=y


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


"d11=30m+1s/(cnst50)-1s/(cnst50)"
"d11=30m+1s/(cnst51)-1s/(cnst51)"
"d11=30m+1s/(cnst53)-1s/(cnst53)"
"d11=30m"


"p2=p1*2"
"p4=p3*2"
"d4=1s/(cnst2*4)"
"d0=3u"

"d62=aq/l0"
"d63=d62/2"
"l1=l0/2-1"

"TAU=p4" ;correction for 2nd carbon 180 of BIRD

"in0=inf1/2"	;t1 increment steps

"DELTA6=d4+d4-p16-d16"
"DELTA7=d4-p16-4u"
"DELTA8=d4+d4+p2+6u"

"acqt0=0"
baseopt_echo


1 ze
  d11 pl12:f2
2 d11 do:f2 
  ;4u BLKGRAD
  50u BLKGRAMP	;PFG amp blanked
  50u LOCKH_OFF ; sample lock signal
  d1
  50u LOCKH_ON ;lock sampling off (lock-hold)
  50u UNBLKGRAMP ;PFG amp unblanked
3 (p1 ph6)
  d4 pl2:f2
  4u
  (center (p2 ph6) (p4 ph6):f2 )
  4u
  d4 
  (p1 ph1) 
 ; p19:gp3
 ; d17
  (p3 ph2):f2
  d0 
  (p2 ph6)
  d0
  p16:gp1*EA  
  d16
  DELTA6
  (center (p2 ph6) (p4 ph6):f2 )  
  DELTA8
  (p3 ph4):f2
 ; p19:gp4
 ; d17
  (p1 ph3) 
  d4
  (center (p2 ph6) (p4 ph6):f2 ) 
  p16:gp2  
  DELTA7 pl12:f2
    
  4u cpd2:f2
  ACQ_START(ph30,ph31)
  0.1u START_NEXT_SCAN

  0.1u REC_UNBLK
  0.05u DWELL_RELEASE
  d63
  0.05u DWELL_HOLD
  0.1u REC_BLK

  1u do:f2
  
  p29:gp11
  d26 rpp10
  (p2 ph11+ph10)
  p29:gp11
  d26

	2u
	d60

  p29:gp12
  d26

  TAU pl2:f2
  (p1 ph11+ph10)
  d4
  d4
  (center (p2 ph12+ph10) (p4 ph12+ph10):f2 )    
  d4
  d4
  (p1 ph13+ph10)
  (p4 ph12+ph10):f2

  p29:gp12
  d26 pl12:f2
	d60  

  1u cpd2:f2

4 0.1u REC_UNBLK
  0.05u DWELL_RELEASE
  d62
  0.05u DWELL_HOLD
  0.1u REC_BLK

  1u do:f2
  

  p29:gp13
  d26 ipp10
  (p2 ph11+ph10)
  p29:gp13
  d26

	2u
	d60

  p29:gp14
  d26

  TAU pl2:f2
  (p1 ph11+ph10)
  d4
  d4
  (center (p2 ph12+ph10) (p4 ph12+ph10):f2 )    
  d4
  d4
  (p1 ph13+ph10)
  (p4 ph12+ph10):f2

  p29:gp14
  d26 pl12:f2
	d60  

  1u cpd2:f2


  0.1u REC_UNBLK
  0.05u DWELL_RELEASE
  d62
  0.05u DWELL_HOLD
  0.1u REC_BLK


  1u do:f2
  

  p29:gp11
  d26 ipp10
  (p2 ph11+ph10)
  p29:gp11
  d26

	2u
	d60

  p29:gp12
  d26

  TAU pl2:f2
  (p1 ph11+ph10)
  d4
  d4
  (center (p2 ph12+ph10) (p4 ph12+ph10):f2 )    
  d4
  d4
  (p1 ph13+ph10)
  (p4 ph12+ph10):f2

  p29:gp12
  d26 pl12:f2
	d60  

  1u cpd2:f2


 lo to 4 times l1

  0.1u REC_UNBLK
  0.05u DWELL_RELEASE
  d62
  0.05u DWELL_HOLD
  0.1u REC_BLK

  1u do:f2
  

  p29:gp13
  d26 ipp10
  (p2 ph11+ph10)
  p29:gp13
  d26

	2u
	d60

  p29:gp14
  d26

  TAU pl2:f2
  (p1 ph11+ph10)
  d4
  d4
  (center (p2 ph12+ph10) (p4 ph12+ph10):f2 )    
  d4
  d4
  (p1 ph13+ph10)
  (p4 ph12+ph10):f2

  p29:gp14
  d26 pl12:f2
	d60  

  1u cpd2:f2


  0.1u REC_UNBLK
  0.05u DWELL_RELEASE
  d63
  0.05u DWELL_HOLD
  0.1u REC_BLK


  rcyc=2

  d11 do:f2 mc #0 to 2 
     F1EA(calgrad(EA), caldel(d0, +in0) & calph(ph2, +180) & calph(ph31, +180))


  4u BLKGRAMP
  50u LOCKH_OFF
  
exit
   

ph1  = 1 1 1 1 3 3 3 3
ph2  = 0 2 
ph3  = 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph4  = 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
ph6  = 0

ph11 = 0 0 1 1
ph12 = 1 1 2 2
ph13 = 2 2 3 3

ph10 = 0 0 2 2 0 2 2 0 2 2 0 0 2 0 0 2

ph30 = 0
ph31 = 1 3 1 3 3 1 3 1 3 1 3 1 1 3 1 3 3 1 3 1 1 3 1 3 1 3 1 3 3 1 3 1
  







;pl0 : 0W
;pl1 : f1 channel - power level for pulse (default)
;pl2 : f2 channel - power level for pulse (default)
;pl12: f2 channel - power level for CPD/BB decoupling
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel -  90 degree high power pulse
;p16: gradient pulse encode/decode [2.0m] 
;p19: gradient pulse homospoil [1.3m]
;p29: gradient pulse length in ACQ [500u]

;inf1: 1/SW(X) = 2 * DW(X)
;in0: 1/(2 * SW(X)) = DW(X)

;d11: delay for disk I/O                               [30 msec]
;d0 : incremented delay (2D)                           [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d4 : 1/(4J)XH [calculated]
;d16: delay for gradient recovery in HSQC [500u]
;d17: delay for homospoil recovery [1m]
;d26: delay for gradient recovery in ACQ [500u]
;d60: optional extra delay for longer stab prior to chunks [0u]
;d62: duration of chunks [set by aq/l0]
;d63: duration of first and last half chunks

;cnst2: = 1J(XH)

;nd0: 2
;ns: 1(2,4,32)*n
;ds: >= 16
;td1: number of experiments
;FnMODE: echo-antiecho
;cpd2: decoupling according to sequence defined by cpdprg2
;pcpd2: f2 channel - 90 degree pulse for decoupling sequence

;l0: number of chunks to acquire [2*integer]

;for z-only gradients:
; gpz1: 80%
; gpz2: 20.1% [gpz1*gammaX/gammaH]
; gpz3: 29%
; gpz4: 13%
;gpz11: 17%
;gpz12: 31%
;gpz13: 19%
;gpz14: 33%

;use gradient files:   
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.100
;gpnam11: SMSQ10.100
;gpnam12: SMSQ10.100
;gpnam13: SMSQ10.100
;gpnam14: SMSQ10.100

