PC72dbigsw: 2D big double-quantum F1 spectral width POST_C7 pulse program
PC72dbigsw: 2D big double-quantum F1 spectral width POST_C7 pulse program
Since non-phase cycling is applied to the PC7 excitation pulse, four-phase cycling is applied to the detection pulse P1 for selecting the 0Q -> -1Q coherence order jump, and four-phase cycling is applied to the PC7 reconversion pulse for filtering DQ coherences.
Andreas Brinkmann, Mattias Edén, and Malcolm H. Levitt, Synchronous helical pulse sequences in magic-angle spinning nuclear magnetic resonance: Double quantum recoupling of multiple-spin systems, J. Chem. Phys. 112, 8539-8554 (2000).
;pc72dbigsw (TopSpin 2.0) ;SQ-DQ experiment using POST_C7 sequence ;for setup of the 2D INADEQUATE type experiments ;Hohwy, M. Jakobsen, H.J. Eden, M. Levitt, M.H., Nielsen, N.C., ;J. Chem. Phys. 108, 2686-2694 (1998) ;revised 09/09/03 JOS ;Avance II+ version ;parameters: ;d1 :recycle delay ;d0 : incremented delay (2D) [1 usec] ;d20 :delay between saturation pulses ;pl1 : f1 power level for presaturation pulses and detection pulse ;pl7 : for C7 recoupling sequence, B1=7*cnst31 in Hz ;pl2 : =120 dB, not used here ;p1 : detection pulse at pl1 ;p9 : used as t1 increment (= inf1) for d0 ;cnst31 : spinning speed, make sure cnst31>1000 ;l1 : number of composite C7 cycles for DQ excitation ;l20 : # of pulses in saturation pulse train, 0 if undesired ;FnMode : undefined because the pulse program contains no mc statement ;mc2 : STATES-TPPI ;nd0 : 1 ;ns : n*16 ;WDW : F1 QSINE 3, F2 QSINE 2 or EM ;zgoptns :-Dpresat or blank ;$COMMENT=SQ-DQ experiment with post-C7 sequence ;$CLASS=Solids ;$DIM=2D ;$TYPE=direct excitation ;$SUBTYPE=homonuclear correlation ;$OWNER=Bruker define loopcounter count ;for STATES-TPPI procedure "count=td1/2" ;and STATES cos/sin procedure define pulse tau1 "tau1=((0.25s/cnst31)/7)" ; 90° pulse define pulse tau4 "tau4=((1s/cnst31)/7)" ;360° pulse define pulse tau3 "tau3=((0.75s/cnst31)/7)" ;270° pulse "d31=1s/cnst31" ;cnst11 : to adjust t=0 for acquisition, if digmod = baseopt "acqt0=1u*cnst11" #include <rot_prot.incl> ze ;acquire into a cleared memory "d0=0.1u" ;make sure a short d0 is used initially 1 d31 #ifdef presat ;set with -Dpresat pres, d20 ;delay between saturation pulses (p1 pl1 ph1):f1 ;saturation loop lo to pres times l20 #endif /* presat */ 2 d1 ;recycle delay "cnst1=180*cnst31*d0" ;phase correction for PC7 reconversion pulse ;due to t1 DQ evolution period, ;defined by the phase-time relationships 1m rpp11 ;reset the phase program ph11 pointer to the first element 1m rpp12 ;reset the phase program ph12 pointer to the first element 1m rpp13 ;reset the phase program ph13 pointer to the first element 1m rpp14 ;reset the phase program ph14 pointer to the first element 1u pl7:f1 ;switch to PC7 RF condition 3 tau1:f1 ph11 ipp13 ipp14 ;pc7 excitation, 1 loop = 2*Tr/7, ;increment reconversion pulse phase ph13 and ph14 ;pointers to the next phase in the lists tau4:f1 ph12 ipp12 ;increment phase ph12 pointer tau3:f1 ph11 ipp11 ;and phase ph11 pointer ;to the next phase in the lists lo to 3 times l1 d0 ;double-quantum evolution period 6 tau1:f1 ph13+cnst1 ;pc7 reconversion, 1 loop = 2*Tr/7, ;increase ph13 by cnst1 due to evolution period tau4:f1 ph14+cnst1 ipp14 ;increase ph14 by cnst1 due to evolution period, ;increment phase ph14 pointer to the next phase in the list tau3:f1 ph13+cnst1 ipp13 ;increase ph13 by cnst1 due to evolution period, ;increment phase ph13 pointer to the next phase in the list lo to 6 times l1 (p1 pl1 ph5):f1 ;detection pulse 2u gosc ph31 ;gosc does not loop to 1 ;start ADC with ph31 signal routing ;DQ filtering (four phase cycling): ;1m ip13 ;increments all phases of ph13 by 90° ;1m ip14 ;increments all phases of ph14 by 90° 1m ip13*16384 ;increments all phases of ph13 by 90° 1m ip14*16384 ;increments all phases of ph14 by 90° lo to 2 times ns ;next scan 100m wr #0 if #0 zd ;delay for disk I/O, store signal, ;increase FID number ;delete memory data ;do not perform dummy scans ;with next acquisition ;1m ip11 ;increments all phases of ph11 by 45°, ;90° phase for DQ coherence ;1m ip12 ;increments all phases of ph12 by 45°, ;90° phase for DQ coherence 1m ip11*8192 ;increments all phases of ph11 by 45°, ;90° phase for DQ coherence 1m ip12*8192 ;increments all phases of ph12 by 45°, ;90° phase for DQ coherence lo to 1 times 2 ;t1 quadrature detection "d0=d0+p9" ;set p9=inf1=increment for F1 (to make it usec!) ;1m rp11 ;reset all phases of ph11, ph12, ph13, and ph14 ;1m rp12 ;to their original values, i.e. to the values they ;1m rp13 ;had before the first ip11, ip12, ip13, and ip14 ;1m rp14 ;in case of STATES remove semicolon at beginning of the 4 lines lo to 1 times count ;count = td1/2 HaltAcqu, 1m exit ph1= 0 ;for saturation pulse ;ph11 = (float,45.0) 0.00 51.43 102.86 154.29 205.71 257.14 308.57 ;ph12 = (float,45.0) 180.00 231.43 282.86 334.29 385.71 437.14 488.57 ;ph13 = (float,90.0) 0.00 51.43 102.86 154.29 205.71 257.14 308.57 ;ph14 = (float,90.0) 180.00 231.43 282.86 334.29 385.71 437.14 488.57 ph11=(65536) 0 9362 18725 28087 37449 46811 56174 ph12=(65536) 32768 42130 51493 60855 4681 14043 23406 ph13=(65536) 0 9362 18725 28087 37449 46811 56174 ph14=(65536) 32768 42130 51493 60855 4681 14043 23406 ph5= 0 0 0 0 2 2 2 2 1 1 1 1 3 3 3 3 ph31 = 0 2 0 2 2 0 2 0 1 3 1 3 3 1 3 1 ;ph31 = ph5 + 2*ph13
Definition of PC7 excitation pulse.
Definition of C7 excitation pulse.