/
QQ_R2.cw
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QQ_R2.cw
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/* 1H QQ relaxation measurement in methyl groups
based on 2016 Yuwen sequence
Assumes that sample is specifically 13CH3 labeled
1H: O1 on methyls (0.8 ppm)
pwh = p1 1H pw90 @ power level pl1 highest power
13C: O2 centre at 20 ppm
pwc = p2 13C pw90 @ power level pl2 highest power
power level pl21 is used for 13C decoupling.
*/
prosol relations=<triple>
#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>
/***********************/
/* Define pulses */
/***********************/
define pulse dly_pg1 /* Messerle purge pulse */
"dly_pg1=2m"
define pulse dly_pg2 /* Messerle purge pulse */
"dly_pg2=3.4m"
define pulse pwh
"pwh=p1" /* 1H hard pulse at power level p1 (tpwr) */
define pulse pwc
"pwc=p3" /* 13C pulse at power level pl2 (dhpwr) */
#ifdef Ddec
define pulse pwd
"pwd=p30" /* 2H pulse at power pl4 */
#endif
/************************/
/* Define delays */
/************************/
"in0=inf2/2"
"d11=30m"
/************************/
/* Define f1180 */
/************************/
"d0=larger((in0)/2 - 2.0*pwh, 2e-7)"
define delay taua
"taua=d3" /* d3 ~ 1.8-2ms ~ 1.0s/(4*125.3) ~ 1 / 4J(CH) */
define delay taub
"taub=d4" /* d4 = 1/4JCH exactly */
"acqt0=0" /* select 'DIGIMOD = baseopt' to execute */
aqseq 312
1 ze
#ifdef Ddec
; d11 LOCKDEC_ON /* Not required for AvanceIII-HD */
50u LOCKH_ON
d11 H2_PULSE
2u pl41:f4
#endif /*Ddec*/
2 d11 do:f2
20u pl1:f1 pl2:f2
#ifdef Ddec
d11 H2_LOCK
6m LOCKH_OFF
#endif /*Ddec*/
/******************/
/* Messerle purge */
/******************/
20u pl11:f1
(dly_pg1 ph26):f1
20u
(dly_pg2 ph27):f1
; off-resonance presat
30u fq=cnst10(bf hz):f1
30u pl9:f1
d1 cw:f1 ph26
4u do:f1
30u fq=0:f1
20u pl1:f1
#ifdef Ddec
50u LOCKH_ON
15u H2_PULSE
#endif
/****************************************/
/* Destroy 13C equlibrium magnetization */
/****************************************/
(pwc ph26):f2
#ifdef Ddec
20u UNBLKGRAMP
#else
20u UNBLKGRAD
#endif
2u
p50:gp0
d16
/***********************/
/* Create TQ coherence */
/***********************/
(pwh ph1):f1
2u
p51:gp1
d16
"DELTA = taua - 2u - p51 - d16 - pwh*2.0/PI"
DELTA
(center (pwh*2 ph1):f1 (pwc*2 ph26):f2)
2u
p51:gp1
d16
"DELTA = taua - 2u - p51 - d16"
DELTA
(pwc ph3):f2
2u
p52:gp2
d16
"DELTA = taub - 2u - p52 - d16"
DELTA
(center (pwh*2 ph1):f1 (pwc*2 ph26):f2)
2u
p52:gp2
d16
#ifdef Ddec
"DELTA = taub - 2u - p52 - d16 - 2u - pwd - 2u - 2u"
#else
"DELTA = taub - 2u - p52 - d16"
#endif
DELTA
#ifdef Ddec
2u pl4:f4
(pwd ph27):f4
2u pl41:f4
(2u cpds4 ph26):f4
#endif
;(pwc ph26):f2
/*************/
/* Hahn echo */
/*************/
(pwh ph1):f1
;2u
;p58:gp8*0
;d16
vd*0.5
(center (pwh ph29 pwh*2 ph26 pwh ph29):f1 (pwc*2 ph2):f2 )
;2u
;p58:gp8
;d16
vd*0.5
(pwh ph26):f1
;(pwc ph3):f2
#ifdef Ddec
2u do:f4
2u pl4:f4
(pwd ph29):f4
#endif
2u
p53:gp3
d16
#ifdef Ddec
"DELTA = taub - 2u - 2u - pwd - 2u - p53 - d16"
#else
"DELTA = taub - 2u - p53 - d16"
#endif
DELTA
/********/
/* HMQC */
/********/
(pwc*2 ph26):f2
d0
(pwh ph29 pwh*2 ph26 pwh ph29):f1
d0
2u
p53:gp3
d16
"DELTA = taub - 2u - p53 - d16"
DELTA
(pwc ph4):f2
"DELTA = pwc*2.0"
DELTA
(pwh ph27):f1
2u
p54:gp4
d16
/****************************************************************/
/* C->H back transfer, use wtg_flg for better water suppression */
/****************************************************************/
20u pl1:f1
(pwh ph26):f1
2u
p57:gp7
d16
"DELTA = taua - 2u - p57 - d16 - p10 - 1u - larger(pwh,pwc) - pwh*2.0/PI"
DELTA
(p10:sp10 ph28):f1
1u pl1:f1
(center (pwh*2 ph26):f1 (pwc*2 ph27):f2 )
1u
(p10:sp10 ph28):f1
"DELTA = taua - p57 - d16 - p10 - 1u - larger(pwh,pwc) - 2*pwc - 8u"
DELTA
p57:gp7
d16
#ifdef Ddec
4u BLKGRAMP
#else
4u BLKGRAD
#endif
(pwc ph26):f2
(pwc ph5):f2
4u pl21:f2 /* lower power for 13C decoupling */
/********************************/
/* Signal detection and looping */
/********************************/
go=2 ph31 cpds2:f2
d11 do:f2 mc #0 to 2
F1I(ip1, 7, ip3, 3)
F1QF(ivd)
F2PH(ip4, id0); & ip31*2)
; F1QF(calclc(l1,1))
; F2PH(calph(ph4,-90), caldel(d0,+in0) & calph(ph31,+180))
#ifdef Ddec
d11 H2_LOCK
d11 LOCKH_OFF
; d11 LOCKDEC_OFF /* use statement for earlier hardware */
#endif
HaltAcqu, 1m
exit
ph0=1
;ph1=(6) 0 1 2 3 4 5
ph1=(7) 0
ph2=0 2
ph3=(3) 0
ph4=0
ph5=0 2
ph26=0
ph27=1
ph28=2
ph29=3
ph31=0 2
;pl1 : tpwr - power level for pwh
;pl2 : dhpwr - power level for 13C pulse pwc (p2)
;pl4 : power level for 2H high power pulses
;pl9 : tsatpwr - power level for presat
;pl11 : tpwrmess - power level for Messerle purge
;pl21 : dpwr - power level for 13C decoupling cpd2
;pl41 : power level for 2H waltz decoupling
;p10 : 1000usec water flip-back
;sp10 : water flip-back (on H2O)
;spw14 : power level for eburp1 pulse
;spnam14: eburp1 pulse on water
;p1 : pwh
;p3 : pwc
;p30: 2H high power pulse
;p14 : eburp1 pulse width, typically 7000u
;p50 : gradient pulse 50 [1000 usec]
;p51 : gradient pulse 51 [400 usec]
;p52 : gradient pulse 52 [200 usec]
;p53 : gradient pulse 53 [300 usec]
;p54 : gradient pulse 54 [500 usec]
;p55 : gradient pulse 55 [300 usec]
;p56 : gradient pulse 56 [500 usec]
;p57 : gradient pulse 57 [700 usec]
;pcpd2 : 13C pulse width for 13C decoupling
;pcpd4 : 2H pulse width for 2H decoupling
;d1 : Repetition delay D1
;d3 : taua ~1/(4*JCH) ~1.8-2ms
;d4 : taub - set to 1/4JHC = 2.0 ms
;d11 : delay for disk i/o, 30ms
;d16 : gradient recovery delay, 200us
;cpd2 : 13C decoupling during t2 according to program defined by cpdprg2
;cpdprg2 : 13C decoupling during t2
;cpdprg4 : 2H decoupling during relaxation period
;cnst10: water frequency for presat
;l1 : counter for the ncyc_cp values for cpmg
;l2 : actual value of ncyc_cp
;inf1 : 1/SW(X) = 2*DW(X)
;in0 : 1/(2*SW(x))=DW(X)
;nd0 : 2
;ns : 1*n
;FnMODE : States-TPPI, TPPI, States
;for z-only gradients:
;gpz0: 20%
;gpz1: 25%
;gpz2: 20%
;gpz3: -25%
;gpz4: 50%
;gpz5: -40%
;gpz6: -75%
;gpz7: -80%
;use gradient files:
;gpnam0: SMSQ10.32
;gpnam1: SMSQ10.32
;gpnam2: SMSQ10.32
;gpnam3: SMSQ10.32
;gpnam4: SMSQ10.32
;gpnam5: SMSQ10.32
;gpnam6: SMSQ10.32
;gpnam7: SMSQ10.32