; Selective 1D CLIP-COSY experiment using GEMSTONE for ultra-selective excitation. ; ; For Bruker DRX spectrometers using TopSpin 1.3. Manual generation of waveforms using Bruker shape tool. ; ; Daniel Taylor ; Manchester NMR Methodology Group ; Department of Chemistry ; University of Manchester ; ; References: ; [1] D. A. Taylor, P. Kiraly, P. Bowyer, M. Nilsson, L. Castanar, G. A. Morris, and R. W. Adams, ; Chem. Commun., 2023, in press. ; ; [2] P. Kiraly, M. Nilsson, G. A. Morris, and R. W. Adams, Chem. Commun., 2021, 57, 2308-2371. ; ; [3] P. Kiraly, N. Kern, M. Plesniak, M. Nilsson, D. J. Procter, G. A. Morris, and R. W. Adams, ; Angew. Chem. Int. Ed., 2021, 60, 666-669. ; ; 20/04/2023 ;$CLASS=HighRes ;$DIM=1D ;$TYPE= ;$SUBTYPE= ;$COMMENT= #include #include #include "d11=30m" "p2=p1*2" "acqt0=0.0" 1 ze 2 30m 50u BLKGRAMP 50u LOCKH_OFF d1 pl1:f1 50u LOCKH_ON 50u UNBLKGRAMP /* Hard 90deg pulse */ (p1 ph1):f1 /* Low to high adiabatic sweep */ d16 10u gron11 (p24:sp24 ph2):f1 10u groff d16 /* Selective 180 */ p16:gp1 d16 p12:sp12:f1 ph3:r p16:gp1 d16 pl1:f1 /* High to low adiabatic sweep */ d16 10u gron12 (p25:sp25 ph4):f1 10u groff d16 pl1:f1 /* CLIP COSY */ (p1 ph5):f1 10u gron20 (p32:sp29 ph6):f1 20u groff d16 pl1:f1 (p1 ph7):f1 d4 (p2 ph8):f1 d4 (p1 ph9):f1 d4 (p2 ph10):f1 d4 (p1 ph11):f1 10u gron21 (p33:sp30 ph12):f1 20u groff d16 pl1:f1 p16:gp2 d16 (p1 ph13):f1 /* Acquisition */ go=2 ph31 30m mc #0 to 2 F0(zd) 50u BLKGRAD exit ph1 = 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 ph2 = 0 ph3 = 0 0 0 0 1 1 1 1 2 2 2 2 3 3 3 3 ph4 = 0 ph5 = 0 0 2 2 ph6 = 0 ph7 = 0 ph8 = 1 ph9 = 1 ph10 = 3 ph11 = 0 ph12 = 0 ph13 = 0 2 ph31 = 0 2 2 0 2 0 0 2 0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0 2 0 0 2 0 2 2 0 ;pl1 : f1 channel - power level for pulse (default) ;sp12: f1 channel - shaped pulse, rSNOB ;sp24: f1 channel - shaped pulse (adiabatic), GEMSTONE L2H sweep ;sp25: f1 channel - shaped pulse (adiabatic), GEMSTONE H2L sweep ;sp29: f1 channel - shaped pulse (adiabatic), zero-quantum suppression ;sp30: f1 channel - shaped pulse (adiabatic), zero-quantum suppression ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p12: f1 channel - 180 degree shaped pulse ;p16: homospoil/gradient pulse [1 msec] ;p24: f1 channel - adiabatic pulse, GEMSTONE L2H sweep ;p25: f1 channel - adiabatic pulse, GEMSTONE H2L sweep ;p32: f1 channel - adiabatic pulse, zero-quantum suppression [10 msec] ;p33: f1 channel - adiabatic pulse, zero-quantum suppression [30 msec] ;d1 : relaxation delay; 1-5 * T1 ;d4 : COSY mixing time; 1/(4*J(HH)) ;d16: delay for homospoil/gradient recovery ;ns: 2 * n, total number of scans: NS * TD0 ;ds: 4 ;phcor 2 : phasedifference between power levels sp1 and pl1 ;for z-only gradients: ;gpz1: 15 % ;gpz2: -2 % ;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) ; use pulseprogram zs_setup ;preprocessor-flags-start ;CALC_SPOFFS: automatically calcuate spoffs for selective pulses ; start experiment with option -DCALC_SPOFFS (eda: ZGOPTNS) ;FLAG_BLK: for BLKGRAD before d1 rather than go ; option -DFLAG_BLK: (eda: ZGOPTNS) ;preprocessor-flags-end ;$Id: dat_GEMSTONE_CLIPCOSY,v3, 2023/04/20 00:00:00 dat Exp $