;Pulse Program Code for Bruker: ;pp:selhobstocsy ;1D Experiment ;Selective and homodecoupled 1D TOCSY experiment ; based on the HOBS experiment ;Method for fast acquisition and full sensitive homodecoupled frequency-selective 1D TOCSY spectra ;Instant homonuclear decoupling is used during acquisition ;L. Castañar, P. Nolis, A. Virgili & T. Parella, ; Chem. Eur. J (2013)19,17283-17286 ; DOI:chem.201303235 ;L. Castañar, M. Pérez-Trujillo, P. Nolis, E. Monteagudo, A. Virgili & T. Parella, ; ChemPhysChem(2014)15,854-857 ; DOI:10.1002/cphc.201301130 ;Avance III version (08/10/2013) ;Topspin3.1 #include #include #include #include dwellmode explicit "d11=3u" "d12=30u" "d2=aq/l0" "d3=d2/2" "l2=l0-1" "p2=2*p1" "p5=p6*.667" "p7=p6*2" "SCALEF=p7*2/p5" "FACTOR1=((d9-p17*2)/(p6*64+p5))/SCALEF" "l1=FACTOR1*SCALEF" # ifdef CALC_SPOFFS "spoff2=bf1*(cnst21/1000000)-o1" # else # endif /*CALC_SPOFFS*/ 1 ze 2 30m 20u pl1:f1 d1 50u UNBLKGRAD (p1 ph1):f1 3u p16:gp1 d16 pl0:f1 p12:sp2:f1 ph2:r 3u p16:gp1 d16 pl10:f1 (p17 ph26) ;begin MLEV17 3 (p6 ph22 p7 ph23 p6 ph22) (p6 ph24 p7 ph25 p6 ph24) (p6 ph24 p7 ph25 p6 ph24) (p6 ph22 p7 ph23 p6 ph22) (p6 ph24 p7 ph25 p6 ph24) (p6 ph24 p7 ph25 p6 ph24) (p6 ph22 p7 ph23 p6 ph22) (p6 ph22 p7 ph23 p6 ph22) (p6 ph24 p7 ph25 p6 ph24) (p6 ph22 p7 ph23 p6 ph22) (p6 ph22 p7 ph23 p6 ph22) (p6 ph24 p7 ph25 p6 ph24) (p6 ph22 p7 ph23 p6 ph22) (p6 ph22 p7 ph23 p6 ph22) (p6 ph24 p7 ph25 p6 ph24) (p6 ph24 p7 ph25 p6 ph24) (p5 ph23) lo to 3 times l1 ;end MLEV17 (p17 ph26):f1 (p17:gp2) ACQ_START(ph30,ph31) 0.05u setrtp1|0 0.1u setrtp1|5 d3:r 0.1u setrtp1^5 0.05u setrtp1^0 p16:gp4 d16 pl1:f1 p2 ph4 p16:gp4 d16 p16:gp3 d16 pl0:f1 (p13:sp13 ph3) p16:gp3 d16 4 0.05u setrtp1|0 0.1u setrtp1|5 d2:r 0.1u setrtp1^5 0.05u setrtp1^0 p16:gp4 d16 pl1:f1 p2 ph4 p16:gp4 d16 p16:gp3 d16 pl0:f1 (p13:sp13 ph3) p16:gp3 d16 lo to 4 times l2 0.05u setrtp1|0 0.1u setrtp1|5 d3 30m 0.1u setrtp1^5 0.05u setrtp1^0 rcyc=2 wr #0 exit ph1=0 2 ph2=0 0 1 1 2 2 3 3 ph3=0 ph4=0 ph22=0 ph23=1 ph24=2 ph25=3 ph26=1 ph30=0 ph31=0 2 2 0 ;pl0 : 0W ;pl1 : f1 channel - power level for pulse (default) ;pl10: f1 channel - power level for TOCSY-spinlock ;p1 : f1 channel - 90 degree high power pulse ;p5 : f1 channel - 60 degree low power pulse ;p6 : f1 channel - 90 degree low power pulse ;p7 : f1 channel - 180 degree low power pulse ;p12 : f1 channel - 180 degree selective pulse for excitation ;p13 : f1 channel - 180 degree selective pulse for homodecoupling ;p16: homospoil/gradient pulse [1 msec] ;p17: f1 channel - trim pulse [2.5 msec] ;sp2: f1 channel - shaped pulse power level for selective excitation ;sp3: f1 channel - shaped pulse power level for selective Homodecoupling ;spnam2: shaped pulse for selective excitation ;spnam3: shaped pulse for selective homodecouplin ;d1 : relaxation delay; 1-5 * T1 ;d9 : TOCSY mixing time [60 msec] ;d16: delay for homospoil/gradient recovery [20 us] ;cnst21: chemical shift for selective pulse (offset, in ppm) ;l1: loop for MLEV cycle: (((p6*64) + p5) * l1) + (p17*2) = mixing time ;l2: number of concatenated loops in homodecoupling acquisition ;NS: 2 * n, total number of scans: NS * TD0 ;DS: 2 ;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 ;for z-only gradients: ;gpz1: 15% ;gpz2: 40% ;gpz3: 63% ;gpz4: 76% ;use gradient files: ;gpnam1: SMSQ10.100 ;gpnam2: SMSQ10.100 ;gpnam3: SMSQ10.100 ;gpnam4: SMSQ10.100