RFDR-trev: 2D double quantum excitation RFDR pulse program for TopSpin2.1
RFDR-trev: 2D double quantum excitation RFDR pulse program for TopSpin2.1
;rfdr-trev (TopSpin 2.0) ;RFDR with time reversal for pure phases, modified rfdrps ;for arbitrary scan numbers, ns=n*4 ;2D exchange NMR in rotating solids ;rotor synchronized, set cnst31=spin rate, spin rate regulation ;recommended ;see Bennet, Ok, Griffin, Vega J. Chem. Phys. 98, 8624 (1992) ;and Boender and Vega, for phase sensitive method ;written by HF, 16.9.98, modified 21.5.2007 ;Proton offset at LG frequency during mix to avoid HH transfer ;use STATES-TPPI for transform, ;Avance III version ;parameters: ;d1 : recycle delay ;p1 : X 90 degree pulse at pl1 ;p2 : X 180 degree pulse at pl11 ;p3 : 90 degree 1H pulse ;p9 : used as t1 increment and decrement for d0 ;p15 : contact pulse (typ. 1ms) ;pcpd2 : pulse length in decoupling sequence ;pl1 : X power level (for CP) ;sp0 : proton power level during contact ;pl2 : =120dB, not used ;pl11 : power level for pi pulses on X ;pl12 : power level for H 90 and standard proton decoupling ;pl13 : power level for lg decoupling during mixing ;cpdprg2 : decoupling during acquisition ;cpdprg1 : decoupling during RFDR, usually cwlg ;cnst21 : =0, proton offset ;cnst20: proton RF field if LG-decoupling is used (at pl13) ;cnst31 : spinning frequency ;l1 : number of rotor cycles for mixing time ;l3 : =0, scan counter used for time reversal ;parmod = 2D ;td1 = si/4 = si1/2 ;nd0=1, in0=ind10=dw, STATES-TPPI ;ns=32*n ;$COMMENT=exchange NMR (RFDR) in rotating solids, rotor synchronized ;$CLASS=Solids ;$DIM=2D ;$TYPE=cross polarisation ;$SUBTYPE=homonuclear correlation ;$OWNER=Bruker define loopcounter count "count=td1/2" define delay tau "tau=0.5s/cnst31-p2/2" "d31=1s/cnst31" ;allow protection for misset d31 define delay aqf1 "aqf1=dw*td1+d31" "l9=(aqf1/d31+1)" define delay trev "trev=l9*d31" "d10=trev" "l4=ns/4" "d0=1u" "cnst21=0" "p9=inf1" ;cnst11 : to adjust t=0 for acquisition, if digmod = baseopt "acqt0=1u*cnst11" #include <Avancesolids.incl> ;standard stuff #include <rot_prot.incl> ;protect for too slow rotation 1 ze d31 2 10u "l3=0" 3 d1 do:f2 ;recycle delay, F2 decoupler off #include <p15_prot.incl> ;make sure p15 does not exceed 10 msec ;let supervisor change this pulseprogram if ;more is needed #include <aq_prot.incl> ;allows max. 50 msec acquisition time, supervisor ;may change to max. 1s at less than 5 % duty cycle ;and reduced decoupling field aqf1 trev rpp4 ;reset the phase ph4 pointer to the first element 1u fq=cnst21:f2 (p3 pl12 ph1):f2 ;proton 90° pulse (p15 pl1 ph2):f1 (p15:sp0 ph10):f2 ;contact pulse with square or ;ramp shape ramp.100 on F2 d0 cpds2:f2 ;F2 decouping during the evolution period (p1 pl11 ph3):f1 ;90° pulse putting magnetization back ;to z-axis for RFDR excitation if "l3<2" goto goon ;scan counter l3 d10 ;time-reversed period goon, ;non-time-reversed period 1u cpds1:f2 ;F2 decoupling during mixing period 5 tau ;mixing period with Gullion sequence ;tau = half rotor period - p2/2 p2:f1 ph4^ ;180° pulse, increment phase ph4 pointer tau ;tau = half rotor period - p2/2 lo to 5 times l1 ;set l1 for desired mixing time (p1 ph5):f1 (1u cpds2):f2 ;90° detection pulse, ;F2 decoupling during acquisition gosc ph31 ;gosc does not loop to 2 ;start ADC with ph31 signal routing 10u do:f2 ;F2 decoupler off "l3=l3+1" lo to 3 times 4 ;four scans 10u lo to 2 times l4 ;ns/4 iterations, reset l3=0 100m wr #0 if #0 zd ;save data 1m ip2 ;increments the phase of ph2 of ;the CP contact pulse by 90° lo to 2 times 2 ;STATES t1 quadrature detection "d0=d0+p9" ;p9 used as increment of the evolution period "d10=d10-p9" ;p9 used as decrement of the time reversal period lo to 2 times count ;count=td1/2 HaltAcqu, 1m 6 exit ph1= 0 ph2= 1 ph10=1 ph3= 0 0 0 0 2 2 2 2 1 1 1 1 3 3 3 3 ph4= 0 1 0 1 1 0 1 0 ph5= 0 1 2 3 0 1 2 3 1 2 3 0 1 2 3 0 0 1 2 3 0 1 2 3 3 0 1 2 3 0 1 2 ph31=0 1 2 3 2 3 0 1 0 1 2 3 2 3 0 1 0 1 2 3 2 3 0 1 0 1 2 3 2 0 3 1