;GS_GEMSTONE-ROESY
;Ultra-selective 1D ROESY sequence with gradient selection for CTP reinforcement

;REFERENCES
;SPFGE selective (ROESY) experiment
;  J. Stonehouse, P. Adell, J, Keeler and A. J. Shaka:
;  J. Am. Chem. Soc., 116, 6037-6038 (1994)
;Symmetrization: 
;  J. Schleucher, J. Quant, S. Glaser, C. Griesinger: 
;  J. Magn. Reson A, 112, 144-151, 1995.
;EASY-ROESY sequence 
;  C. M. Thiele, K. Petzold, J. Schleucher: 
;  Chem. Eur. J. 15, 585-588, 2009.
; S. Boros, Gy Batta:
;  Magn. Reson. Chem. 2016
;Gradient selection:
;  J. Furrer:
;  J. Nat. Prod., 2009, 72, 14371441.
;Zero-quantum suppression:
;  M. J. Thrippleton, J. Keeler:
;  Angew. Chem. Int. Ed. 42, 3938-3941 (2003)
;GEMSTONE:
;  P. Kiraly, N. Kern, M. P. Plesniak, M. Nilsson, D. J. Procter, G. A. Morris, R. W. Adams:
;  Angew. Chem., Int. Ed. 2021, 60, 666-669.

;$CLASS=HighRes
;$DIM=1D
;$TYPE=
;$SUBTYPE=
;$COMMENT=

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

;CONSTANTS
"cnst1=0"               							
"cnst30=tan((cnst31/180)*3.1416)"
"cnst3=(cnst2/cnst30)" 								
"cnst4=-(cnst2/cnst30)" 							
;PULSES
"p62=0.5*p15"
"p2=p1*2"
;DELAYS
"DELTA=p16+d16+40u"
"d11=30m"
"d11=30m+1s/(1+cnst50)"								
"d11=30m+1s/(1+cnst51)"
"d11=30m+1s/(1+cnst52)"
"d11=30m+1s/(1+cnst53)"
"d11=30m+1s/(1+cnst54)"
"d11=30m+1s/(1+cnst55)"
"d11=30m+1s/(1+cnst56)"
"d11=30m"
;POWER for ROESY spin-lock
"p30=1000000.0/(cnst2*4)"
"cnst41= (p30/p1) * (p30/p1)"
"spw24=plw1/cnst41"
"spw16=plw1/cnst41"
"spw26=plw1/cnst41"
"spw27=plw1/cnst41"
"spw28=plw1/cnst41"
;ACQUISITION
"acqt0=0.0"

1 ze
2 30m
50u BLKGRAMP											
50u LOCKH_OFF
d1 pl1:f1 
50u LOCKH_ON
50u UNBLKGRAMP
(p1 ph1):f1									
d17												
1u
1u gron11 												
(p41:sp41 ph5):f1 								
1u
1u groff
d17
3u
p16:gp1												
d16 
p12:sp2:f1 ph4										
3u
p16:gp1*-1												
d16 pl1:f1 
d17											
1u
1u gron12 											
(p42:sp42 ph6):f1										
1u
1u groff
d17 pl1:f1											 
(p1 ph3):f1											
3u
p17:gp2
d17
3u 
(center (p25:sp25 ph0):f1 (p25:gp3))	
d17 
3u fq=cnst3(sfo hz):f1 						
(p61:sp24 ph0):f1       						
3u
(p62:sp16 ph0):f1       					
3u
(p61:sp26 ph0):f1       						
3u 
3u fq=cnst4(sfo hz):f1  					
(p61:sp27 ph0):f1       					
3u
(p62:sp16 ph0):f1       					
3u
(p61:sp28 ph0):f1       						
3u
p17:gp4                 						
d17 fq=cnst1(sfo hz):f1
3u 
(center (p23:sp23 ph0):f1 (p23:gp5))  
d17
3u pl1:f1
(p1 ph2):f1	
DELTA
p2 ph0
20u
p16:gp6											
d16
20u 
go=2 ph31
30m mc #0 to 2 F0(zd)
50u LOCKH_OFF	
exit
ph0=0
ph1=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 
ph2=0 2
ph3=0 0 2 2
ph4=0 0 0 0 1 1 1 1 2 2 2 2 3 3 3 3
ph5=0
ph6=0
ph31=0 2 2 0 2 0 0 2 0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0 2 0 0 2 0 2 2 0
;PULSES
;p1: f1 channel -  90 degree high power pulse
;pl1: f1 channel - power level for pulse (default)
;p12: f1 channel - 180 degree shaped pulse 
;sp2: selective 180 shaped pulse
;spnam2: Rsnob.1000	
;p12: f1 channel - 180 degree shaped pulse 
;p16: defocus/refocus gradient pulse 
;p17: gradient pulse [1 msec]					
;SPINLOCK 
;p15: ROESY mixing time
;p61: 1 ms, f1 channel - adiabatic ramps for spinlock
;p62: p15/2  
;sp16: rectangular pulse shape for spinlock
;spnam16: Squa100.1000  
;sp24: adiabatic ramp to negative offset spinlock
;spnam24: Gaussramp+down.1
;sp26: adiabatic ramp down from negative offset spinlock
;spnam26: Gaussramp+up.1  
;sp27: adiabatic ramp up to positive offset spinlock
;spnam27: Gaussramp-down.1
;sp28: adiabatic ramp down from positive offset spinlock
;spnam28: Gaussramp-up.1 
;ZERO-QUANTUM SUPRESSION
;p25: 50 ms duration of first ZQS element 
;spnam25: Crp_60kHz_50ms
;sp25: power level for first ZQS element
;p23: 30 ms duration of second ZQS element
;spnam23: Crp_60kHz_30ms 
;sp23: power level for the second ZQS element
;p41: adiabatic pulse
;p42: reverse sweep adiabatic pulse
;DELAYS
;d1: relaxation delay; 1-5 * T1
;d16: delay grad recovery for spinecho [200us]
;d17: delay for gradient recovery [1ms]
;WAVEMAKER GEMSTONE										
;cnst50: band-width of the band-selective RSNOB pulse [Hz]
;cnst51: sweep-width of the adiabatic pulse [Hz]
;cnst52: duration of the adiabatic pulse [t1max/2: 30-150 ms]
;sp2(p12):wvm:eg_user:f1 userA1(cnst50 Hz) ss=10.0us;
;sp41:wvm:eg_wurst_1:f1 wurst-80(cnst51 Hz, cnst52 ms; L2H, Q=11) ss=5.0us;
;sp42:wvm:eg_wurst_2:f1 wurst-80(cnst51 Hz, cnst52 ms; H2L, Q=11) ss=5.0us; 
;WAVEMAKER ZQS elements
;cnst53: bandwidth of first ZQS [kHz]
;cnst54: duration of first ZQS [ms]
;cnst55: bandwidth of second ZQS [kHz]
;cnst56: duration of second ZQS [ms]
;sp25(p25):wvm:ZQS1:f1 sm_chirp(cnst53 kHz, cnst54 ms; NPOINTS=10000, L2H, Q=11) ss=5.0us 
;sp23(p23):wvm:ZQS2:f1 sm_chirp(cnst55 kHz, cnst56 ms; NPOINTS=10000, L2H, Q=11) ss=5.0us
;CONSTANTS 
;cnst1: set RF pulse on-resonance 
;cnst2: field strength of spin lock in Hz
;cnst30: conversion of spinlock angle into radians
;cnst31: Theta for the off resonance, Magic angle or 60 deg suggested
;EXTRA INFORMATION
;NS: 8 * n, total number of scans: NS * TD0
;DS: 4
;GRADIENTS
;gpz1: defocusing gradient 
;gpz2: 31 % homospoil gradient
;gpz3: ~9.5% for ZQS elements
;gpz4: 46 % homospoil gradient
;gpz5: ~9% for ZQS elements
;gpz6: refocusing gradient [2*gp1]
;gpz11: +2.15%
;gpz12: -2.15%

;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: RECT.1
;gpnam4: SMSQ10.100
;gpnam5: RECT.1
;gpnam6: SMSQ10.100
;gpnam11: RECT.1
;gpnam12: RECT.1