;sapphire ; ; Sideband Averaging by Periodic PHase ; Incrementation of Residual J Evolution ; for the acquisition of clean ZS pure shift spectra ; ; Developed by: ; NMR Methodology Group ; University of Manchester ; ; The pulse sequence involves a 3D acquisition scheme. ; F3 is the direct dimension. F1 is the incremented dimension for the reconstruction of the pure shift interferogram. ; F2 is the incremented dimension for the J-evolution. ; ; The data can be reconstructed using the two following AU programs (downloaded from: http://nmr.chemistry.manchester.ac.uk) ; 1) pm_pshift (produces pure shift spectra for each different J-evolution time, adjusting the length of the first chunk appropriately) ; 2) pm_fidadd (averages the pure shift spectra acquired with differente J-evolution times) ; ; ;$CLASS=HighRes ;$DIM=3D ;$TYPE= ;$SUBTYPE= ;$COMMENT= #include #include #include define delay tauA define delay tauAA define delay tauB define delay tauBB define delay tauBBB define delay tauBBBB define delay tauC define delay tauD "p2=p1*2" "l0=0" "l8=0" "in0=inf1/2" "in10=inf2" "d0=inf1/2" "d10=inf2" "d30=in0/2" "d40=in0/2-in10" "cnst5=(td2/2)+1" "tauA=0" "tauAA=inf1/4" "tauB=d2-p17-2*d16-20u" "tauBB=d2-p17-2*d16-20u-inf2" "tauBBB=d2-p17-2*d16-20u" "tauBBBB=d2-p17-2*d16-20u+inf2" "tauC=inf2" "tauD=(dw*2*cnst4)" aqseq 312 1 ze 2 50m d1 pl1:f1 3 50u UNBLKGRAD if "l8 < cnst5" { "tauA=0" "tauB=d2-p17-2*d16-20u" "tauA=tauA+(l8*in10)" "tauB=tauB-(l8*in10)" "d30=in0/2+(l8*in10)" "d30=d30+((l0-1)*in0)" "tauBBB=d2-p17-2*d16-20u" "tauBBB=tauBBB-(l8*in10)" p1 ph1 if "l0==0" { tauA } else { tauAA } p16:gp1 d16 p2 ph2 p16:gp1 d16 if "l0==0" { tauA } else { tauAA } if "l0==0" { } else { d30 } if "l0==0" { tauB } else { tauBBB } d16 p17:gp2 d16 20u gron0 pl0:f1 ; (p11:sp11 ph3):f1 ; 20u groff pl1:f1 d16 p17:gp2 d16 if "l0==0" { tauB } else { tauBBB } tauD p18:gp3 d16 p2 ph4 p18:gp3 d16 BLKGRAD if "l0==0" { } else { d30 } lab1, goto lab7 } else { "tauC=in10" "tauBB=d2-p17-2*d16-20u-in10" "tauC=tauC+((l8-cnst5)*in10)" "tauBB=tauBB-((l8-cnst5)*in10)" "d40=(in0/2-in10)-((l8-cnst5)*in10)" "d40=d40+((l0-1)*in0)" "tauBBBB=d2-p17-2*d16-20u+in10" "tauBBBB=tauBBBB+((l8-cnst5)*in10)" p1 ph1 if "l0==0" { } else { tauAA } p16:gp1 d16 p2 ph2 p16:gp1 d16 if "l0==0" { } else { tauAA } if "l0==0" { } else { d40 } if "l0==0" { tauBB } else { tauBBBB } d16 p17:gp2 d16 20u gron0 pl0:f1 ; (p11:sp11 ph3):f1 ; 20u groff pl1:f1 d16 p17:gp2 d16 if "l0==0" { tauBB } else { tauBBBB } tauD if "l0==0" { tauC } else { } p18:gp3 d16 p2 ph4 p18:gp3 d16 BLKGRAD if "l0==0" { tauC } else { } if "l0==0" { } else { d40 } lab2, goto lab7 } lab7, go=2 ph31 50m mc #0 to 2 F1QF(calclc(l0,1)) F2QF(calclc(l8,1)) exit ph1 =0 0 0 0 1 1 1 1 ph2 =0 0 1 1 0 0 1 1 ph3 =0 1 0 1 0 1 0 1 ph4 =0 0 0 0 0 0 0 0 ph31=0 2 2 0 3 1 1 3 ;POWER LEVEL ;pl0 : zero power (0W) ;pl1 : power level for pulse (default) ;sp11 : power level of ZS selective pulse ;PULSE DURATION ;p1: high power 90 pulse width ;p2: high power 180 pulse width ;p11: duration of ZS selective pulse ;PULSE SHAPE ;spnam11: file name of ZS selective pulse ;GRADIENT DURATION ;p16: CTP gradient pulse width ;p17: CTP gradient pulse width ;p18: CTP gradient pulse width ;GRADIENT SHAPE ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;GRADIENT STRENGTH ;gpz1 : CTP gradient [77%] ;gpz2 : CTP gradient [49%] ;gpz3 : CTP gradient [63%] ;gpz0: weak gradient during SSI element (1-4%) ;DELAYS ;d1: relaxation delay; 1-5 * T1 ;d16: gradient stabilisation delay ;d2: delay to keep the T2 weighting constant between the pure shift experiments acquired with different evolution time [greater than 1/4SW1+p16+2*d16] ;CONSTANTS ;cnst4: number of points to drop when collecting FID ;cnst5:(td2/2)+1 ;OTHERS ;td1: number of chunks to be acquired ;td2: number of different J evolution times to be averaged (N) ;ns: 8 * n, total number of scans ;ds: 8, number of dummy scans ;sw1: sw3/n (n has to be an integer number) ;sw2: 2*N*sw1 where N is the steps in the SAPPHIRE suppression (this pulse sequence works when N is an even number) ;2sw3/sw2 should be integer ;in0: 1/(2 * sw1) ;in10: 1/sw2 ;l8: loop counter for F2 dimension ;l0: loop counter for F1 dimension ;FnMODE1: QF ;FnMODE2: QF