; single scan GEMSTONE experiment with 1D TOCSY ; P. Kiraly, M Nilsson, G.A. Morris and R.W.Adams ; 04/02/2021 ; Chem. Commun., 2021, DOI: 10.1039/D0CC08033K. ; Wavemaker compatible, use wvm -a to set up the GEMSTONE pulses. ; Based on ... ;seldigpzs ;avance-version (18/11/22) ;1D homonuclear Hartman-Hahn transfer using ; DIPSI2 sequence for mixing ; using selective refocussing with a shaped pulse ;with zero quantum suppression ; ;H. Kessler, H. Oschkinat, C. Griesinger & W. Bermel, ; J. Magn. Reson. 70, 106 (1986) ;J. Stonehouse, P. Adell, J. Keeler & A.J. Shaka, J. Am. Chem. Soc 116, ; 6037 (1994) ;K. Stott, J. Stonehouse, J. Keeler, T.L. Hwang & A.J. Shaka, ; J. Am. Chem. Soc 117, 4199-4200 (1995) ;M.J. Thrippleton & J. Keeler, ; Angew. Chem. Int. Ed. 42, 3938-3941 (2003) ; ;$CLASS=HighRes ;$DIM=1D ;$TYPE= ;$SUBTYPE= ;$COMMENT= #include <Avance.incl> #include <Grad.incl> #include <Delay.incl> "FACTOR1=(d9/(p6*115.112))/2" "l1=FACTOR1*2" "spoff29=0" "spoff30=0" ; this isn't used in the sequence, set o1p to the signal that should be selected. # ifdef CALC_SPOFFS "spoff2=bf1*(cnst21/1000000)-o1" # else # endif /*CALC_SPOFFS*/ ;WaveMaker definitions ;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: 50-250 ms] ;sp2(p12):wvm:kp_CSSF_a:f1 rsnob(cnst50 Hz) ss=10.0us; ;sp41:wvm:kp_CSSF_bb1:f1 wurst-80(cnst51 Hz, cnst52 ms; L2H, Q=11) ss=5.0us; ;sp42:wvm:kp_CSSF_bb2:f1 wurst-80(cnst51 Hz, cnst52 ms; H2L, Q=11) ss=5.0us; "d11=30m" "d11=30m+1s/(1+cnst50)" "d11=30m+1s/(1+cnst51)" "d11=30m+1s/(1+cnst52)" "d11=30m" "acqt0=-p1*2/PI" 1 ze 2 30m 20u pl1:f1 BLKGRAD d1 pl1:f1 50u UNBLKGRAD (p1 ph1):f1 d16 1u 1u gron11 (p41:sp41 ph6):f1 1u 1u groff d16 3u p16:gp1 d16 pl0:f1 p12:sp2:f1 ph2:r 3u p16:gp1 d16 pl1:f1 d16 1u 1u gron12 (p42:sp42 ph7):f1 1u 1u groff d16 pl1:f1 p1 ph3 10u gron0 (p32:sp29 ph3):f1 20u groff d16 pl10:f1 ;begin DIPSI2 4 p6*3.556 ph23 p6*4.556 ph25 p6*3.222 ph23 p6*3.167 ph25 p6*0.333 ph23 p6*2.722 ph25 p6*4.167 ph23 p6*2.944 ph25 p6*4.111 ph23 p6*3.556 ph25 p6*4.556 ph23 p6*3.222 ph25 p6*3.167 ph23 p6*0.333 ph25 p6*2.722 ph23 p6*4.167 ph25 p6*2.944 ph23 p6*4.111 ph25 p6*3.556 ph25 p6*4.556 ph23 p6*3.222 ph25 p6*3.167 ph23 p6*0.333 ph25 p6*2.722 ph23 p6*4.167 ph25 p6*2.944 ph23 p6*4.111 ph25 p6*3.556 ph23 p6*4.556 ph25 p6*3.222 ph23 p6*3.167 ph25 p6*0.333 ph23 p6*2.722 ph25 p6*4.167 ph23 p6*2.944 ph25 p6*4.111 ph23 lo to 4 times l1 ;end DIPSI2 p16:gp2 d16 10u gron0*1.333 (p32*0.75:sp29 ph3):f1 20u groff d16 pl1:f1 p1 ph3 go=2 ph31 30m mc #0 to 2 F0(zd) 20u BLKGRAD exit ph1=0 2 ph2=0 0 1 1 2 2 3 3 ph3=0 ph6=0 ph7=0 ph23=3 ph25=1 ph31=0 2 2 0 ;pl0 : 0W ;pl1 : f1 channel - power level for pulse (default) ;pl10: f1 channel - power level for TOCSY-spinlock ;sp2: f1 channel - shaped pulse ;sp29: f1 channel - shaped pulse (adiabatic) ;p1 : f1 channel - 90 degree high power pulse ;p6 : f1 channel - 90 degree low power pulse ;p12: f1 channel - 180 degree shaped pulse ;p16: homospoil/gradient pulse [1 msec] ;p32: f1 channel - 180 degree shaped pulse (adiabatic) [20 msec] ; smoothed chirp (sweepwidth, 20% smoothing, 10000 points) ;p41: adiabatic pulse ;p42: reverse sweep adiabatic pulse ;d1 : relaxation delay; 1-5 * T1 ;d9 : TOCSY mixing time ;d16: delay for homospoil/gradient recovery ;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: 50-250 ms] ;l1: loop for DIPSI cycle: ((p6*115.112) * l1) = mixing time ;ns: 8 * n, total number of scans: NS * TD0 ;ds: 4 ;phcor 2 : phasedifference between power levels sp1 and pl1 ;choose p12 according to desired selectivity ;the flip-angle is determined by the amplitude ;set O1 on resonance on the multiplet to be excited do NOT use spoffs ;for z-only gradients: ;gpz0: ca. 11% ;gpz1: 15% ;gpz2: 31% ;gpz11: +0.5% ;gpz12: -0.5% ;use gradient files: ;gpnam1: SMSQ10.100 ;gpnam2: SMSQ10.100 ;for sweepwidth of adiabatic shape and adjusting gpz0 ; see supplementary material of M.J. Thrippleton & J. Keeler, ; Angew. Chem. Int. Ed. 42, 3938-3941 (2003) ;$Id: selnogpzs.2,v 1.2 2017/02/13 12:28:15 ber Exp $