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best_trosy_bshd.cw
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best_trosy_bshd.cw
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;best_trosy_bshd.cw
;
;based on b_trosyf3gpph.2 / homodec1D_dqd_mlev.jfy
;avance-version (15/03/12)
;best-TROSY
;2D H-1/X correlation via TROSY
;phase sensitive using Echo/Antiecho method
;using f3 - channel
;with additional 180degree pulse on N-15
;(use parameterset B_TROSYF3GPPH)
;
;A. Favier & B. Brutscher, J. Biomol. NMR 49, 9-15 (2011)
;E. Lescop, T. Kern & B. Brutscher, J. Magn. Reson. 203, 190-198 (2010)
;(P. Schanda, H. v. Melckebeke & B. Brutscher,
; J. Am. Chem. Soc. 128, 9042-9043 (2006))
;(E. Lescop, P. Schanda & B. Brutscher,
; J. Magn. Reson. 187 163-169 (2007))
;(M. Czisch & R. Boelens, J. Magn. Reson. 134, 158-160 (1998))
;(K. Pervushin, G. Wider & K. Wuethrich, J. Biomol. NMR 12,
; 345-348 (1998))
;(A. Meissner, T. Schulte-Herbrueggen, J. Briand & O.W. Sorensen, Mol. Phys. 96,
; 1137-1142 (1998))
;(J. Weigelt, J. Am. Chem. Soc. 120, 10778-10779 (1998))
;(M. Rance, J.P. Loria & A.G. Palmer III, J. Magn. Reson. 136, 91-101 (1999))
;(G. Zhu, X.M. Kong & K.H. Sze, J. Biomol. NMR 13, 77-81 (1999))
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
prosol relations=<triple>
#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>
#include <De.incl>
; bshd bits
; NB acquisition time must be a multiple of 48 ms
;#define BASH
define loopcounter tdCount
"d27=12m" ;half length between the two decoupling blocks
"l27=d27/(dw*2)+0.5"
"d28=dw*2*l27"
"d29=d28*2"
"tdCount = aq/(d28*4)+1"
"d3=de+12u"
"l24=0"
"cnst22=0"
"cnst24=0"
dwellmode explicit
; trosy bits
"p22=p21*2"
"d11=30m"
"d12=20u"
"d26=2.7m"
"p29=250u"
"d0=3u"
"in0=inf1/2"
"DELTA1=d26-p19-d16-larger(p22,p42)/2"
"DELTA2=d26-p29-d16-larger(p22,p42)/2-p43*cnst43"
"DELTA3=d26-p16-d16-larger(p22,p42)/2"
"DELTA4=de"
# ifdef LABEL_CN
"DELTA=d0*2+p8+p21*4/PI"
# else
"DELTA=d0*2+p21*4/PI"
# endif /*LABEL_CN*/
"l0=1"
"spoff13=bf2*(cnst26/1000000)-o2"
"spoff26=bf1*(cnst54/1000000)-o1"
"spoff28=bf1*(cnst54/1000000)-o1"
"spoff29=bf1*(cnst54/1000000)-o1"
1 d11 ze
2 d11
3 d12
(p22 ph1):f3
d1 pl9:f1
d18 cw:f1 ph9
10u do:f1 pl1:f1
10u UNBLKGRAD
p16:gp0
d16
(p43:sp28 ph1)
p19:gp1
d16
DELTA1
(center (p42:sp26 ph1) (p22 ph1):f3 )
DELTA1
p19:gp1
d16
(p43:sp29 ph2)
p16:gp2
d16
if "l0 %2 == 1"
{
(p21 ph5):f3
}
else
{
(p21 ph6):f3
}
d0
# ifdef LABEL_CN
(p8:sp13 ph1):f2
# else
# endif /*LABEL_CN*/
d0
(p22 ph1):f3
DELTA
(p43:sp29 ph7)
p29:gp4
d16
DELTA2
(center (p42:sp26 ph1) (p22 ph1):f3 )
DELTA2
p29:gp4
d16
(p43:sp28 ph1)
DELTA4
(p21 ph7):f3
4u
p16:gp3
d16
DELTA3
(center (p42:sp26 ph1) (p22 ph1):f3 )
DELTA3
p16:gp3
d16
4u BLKGRAD
(p21 ph1):f3
; acquisition with BASHD
ACQ_START(ph30,ph31) ;total delay here=de
0.05u DWL_CLK_ON
0.1u REC_UNBLK
77 d28
#ifdef BASH
if "l24%8==0 || l24%8==5"
{
"cnst22=0"
"cnst24=0"
}
if "l24%8==1 || l24%8==4"
{
"cnst22=180"
"cnst24=180"
}
if "l24%8==3 || l24%8==6"
{
"cnst22=0"
"cnst24=180"
}
if "l24%8==2 || l24%8==7"
{
"cnst22=180"
"cnst24=0"
}
0.1u REC_BLK
0.05u DWL_CLK_OFF
5u
p31:gp6
20u ip12+cnst22
23u ip14+cnst22 ;may need a longer delay, depending on your grad recovery
3u pl0:f1
(p10:sp0 ph12):f1
6u
p31:gp6
45u ;may need a longer delay, depending on your grad recovery
p32:gp7
40u ;may need a longer delay, depending on your grad recovery
60u pl1:f1
(p1*2 ph14):f1
5u
p32:gp7
95u ;may need a longer delay, depending on your grad recovery
0.05u DWL_CLK_ON
0.1u REC_UNBLK
#endif
d29
#ifdef BASH
0.1u REC_BLK
0.05u DWL_CLK_OFF
5u
p31:gp8
20u ip12+cnst24
20u ip14+cnst24 ;may need a longer delay, depending on your grad recovery
5u pl0:f1
(p10:sp0 ph12):f1
5u
p31:gp8
45u ;may need a longer delay, depending on your grad recovery
p32:gp9
40u ;may need a longer delay, depending on your grad recovery
60u pl1:f1
(p1*2 ph14):f1
5u
p32:gp9
95u iu24 ;may need a longer delay, depending on your grad recovery
0.05u DWL_CLK_ON
0.1u REC_UNBLK
#endif
d28
lo to 77 times tdCount
0.1u REC_BLK
0.05u DWL_CLK_OFF
6u ru24
rcyc = 2
; 50m wr #0
d11 mc #0 to 2
F1EA(calph(ph7, +180) & calclc(l0, 1), caldel(d0, +in0) & calph(ph5, +180) & calph(ph6, +180) & calph(ph31, +180))
exit
ph1=0
ph2=1
ph3=2
ph4=3
ph5=1 3 0 2
ph6=1 3 2 0
ph7=3
ph9=0
ph12=2
ph14=0
ph30=0
ph31=1 3 2 0
;pl1 : f1 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;sp13: f2 channel - shaped pulse 180 degree (Ca and C=O, adiabatic)
;sp26: f1 channel - shaped pulse 180 degree (Reburp.1000)
;sp28: f1 channel - shaped pulse 90 degree (Eburp2.1000)
;sp29: f1 channel - shaped pulse 90 degree (Eburp2tr.1000)
; for time reversed pulse
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p16: homospoil/gradient pulse [1 msec]
;p19: gradient pulse 2 [500 usec]
;p31: gradient 1 for bashd [210 usec]
;p32: gradient 2 for bashd [210 usec]
;p21: f3 channel - 90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;p29: gradient pulse 3 [250 usec]
;p42: f1 channel - 180 degree shaped pulse for refocussing
; Reburp.1000 (1.4ms at 600.13 MHz)
;p43: f1 channel - 90 degree shaped pulse for excitation
; Eburp2.1000/Eburp2tr.1000 (1.7ms at 600.13 MHz)
;d0 : incremented delay (F1) [3 usec]
;d1 : relaxation delay (excluding presat time)
;d18 : presaturation delay
;d11: delay for disk I/O [30 msec]
;d12: delay for power switching [20 usec]
;d16: delay for homospoil/gradient recovery
;d26: 1/(4J(NH) [2.7 msec]
;cnst26: Call chemical shift (offset, in ppm) [101 ppm]
;cnst43: compensation of chemical shift evolution during p43
; Eburp2.1000: 0.69
;cnst52: scaling factor for p42 to compensate for transition region
; Reburp.1000: 1.426
;cnst53: scaling factor for p43 to compensate for transition region
; Eburp2.1000: 1.000
;cnst54: H(N) chemical shift (offset, in ppm)
;cnst55: H(N) bandwidth (in ppm)
;inf1: 1/SW(N) = 2 * DW(N)
;in0: 1/(2 * SW(N)) = DW(N)
;nd0: 2
;ns: 4 * n
;ds: >= 16
;td1: number of experiments in F1
;FnMODE: echo-antiecho in F1
;for z-only gradients:
;gpz0: 40%
;gpz1: 30%
;gpz2: 60%
;gpz3: 44%
;gpz4: 18%
;gpz6: 14.7%
;gpz7: 21%
;gpz8: 25.9%
;gpz9: 35%
;use gradient files:
;gpnam0: SMSQ10.100
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.32
;gpnam6: SINE.20
;gpnam7: SINE.20
;gpnam8: SINE.20
;gpnam9: SINE.20
;preprocessor-flags-start
;CALC_SP: for calculation of all bandselective Proton pulses based on cnst54 and cnst55
; option -DCALC_SP (eda: ZGOPTNS)
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with
; option -DLABEL_CN (eda: ZGOPTNS)
;preprocessor-flags-end
;Processing
;PHC0(F1): -22.5
;$Id: b_trosyf3gpph.2,v 1.2.2.3 2015/03/12 17:07:08 ber Exp $