; GEMSTONE: Gradient-Enhanced Multiplet-Selective Targeted-Observation NMR Experiment ; Peter Kiraly, Nicolas Kern, Mateusz P. Plesniak, Mathias Nilsson, David J. Procter, Gareth A. Morris, and Ralph William Adams ; Angew.Chem. (2020) https://doi.org/10.1002/anie.202011642 ;_r1 1st release, same as used for publication ; 27/05/2020 ;$CLASS=HighRes ;$DIM=1D ;$TYPE= ;$SUBTYPE= ;$COMMENT= #include #include #include ;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: 30-100 ms] ;sp2(p12):wvm:kp_CSSF_a:f1 userA1(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" "acqt0=0.0" baseopt_echo 1 ze 2 30m 50u BLKGRAMP 50u LOCKH_OFF d1 pl1:f1 50u LOCKH_ON 50u UNBLKGRAMP (p1 ph1):f1 d16 ( center (p41:sp41 ph6):f1 (p41:gp11) ) d16 p16:gp1 d16 p12:sp2:f1 ph2:r p16:gp1 d16 pl1:f1 d16 ( center (p42:sp42 ph7):f1 (p42:gp12) ) d16 pl1:f1 go=2 ph31 30m mc #0 to 2 F0(zd) 50u BLKGRAD exit ph1 = 0 ph2 = 0 1 ph6 = 0 0 0 0 1 1 1 1 ph7 = 0 0 1 1 0 0 1 1 ph31 = 2 0 0 2 0 2 2 0 ;pl1 : f1 channel - power level for pulse (default) ;sp2: f1 channel - shaped pulse ;sp29: f1 channel - shaped pulse (adiabatic) ;sp30: f1 channel - shaped pulse for broadband inversion ;p1 : f1 channel - 90 degree high 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 ;p44: f1 channel - 180 degree shaped pulse for broadband inversion ;d1 : relaxation delay; 1-5 * T1 ;d8 : mixing time ;d16: delay for homospoil/gradient recovery ;d31: NOESY mixing time as used ;cnst21: chemical shift for selective pulse (offset, in ppm) ;ns: 2 * 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 or use spoffs ;use gradient ratio: gp 1 : gp 2 ; 15 : 40 ;for z-only gradients: ;gpz0: ca. 11% ;gpz1: 15% ;gpz2: 40% ;gpz11: +0.5% ;gpz12: -0.5% ;use gradient files: ;gpnam1: SMSQ10.100 ;gpnam2: SMSQ10.100 ;gpnam11: RECT.1 ;gpnam12: RECT.1 ;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: selnogpzs.2,v 1.2 2017/02/13 12:28:15 ber Exp $