;h2bc_cteal3 ;avance-version (2005-06-16) ; ;H2BC:Heteronuclear two-bond correlation ;Echo/Antiecho gradient selection ;with third order low-pass J-filter to suppress one-bond correlations ; ;Nils T. Nyberg, Jens Ø. Duus, Ole W. Sørensen ;J. Am. Chem. Soc. 127, 6154-6155 (2005) ; ;Pulse Program Library ;Carlsberg Research Center ; ;Copyright (c), 2005, Carlsberg Research Center ;All rights reserved #include #include #include ; Defined delays and counters define delay BigT define delay D0MAX define delay TMIN define delay DECDUR define delay LP1 define delay LP2 define delay LP3 define delay LP4 define loopcounter TD1MAX ; Default/initial settings "l1 = 2" ; no of subspectra * 2 "l3 = (td1/l1)" ; no of inc. of t1 "d0 = 3u" "d11 = 30m" "d12 = 20u" "p2 = p1*2" "p4 = p3*2" "BigT = cnst15" ; Constant Time, T "D0MAX = d0 + (l3-1)*in0" ; max D0 "DELTA = 50u + p16 + d16" ; gradient duration "DELTA1= 2*d0 + p2" ; with correction "TAU = (1s/(cnst6 + cnst8))" ; Tau "TAU1 = (1s/((cnst6 + 0.07*(cnst8 - cnst6))*2))" ; Tau1 "TAU2 = (1s/(cnst6 + cnst8))" ; Tau2 "TAU3 = (1s/((cnst8 - 0.07*(cnst8 - cnst6))*2))" ; Tau3 "TAU5 = TAU/2" "LP1 = TAU3 - DELTA" ; LPF "LP2 = TAU2 - DELTA - p3" ; LPF "LP3 = TAU1 - DELTA" ; LPF "LP4 = TAU2 + TAU3 - TAU1" ; LPF "d2 = BigT/2 - (TAU + 2*DELTA + 3*p2 + p3 + p4 + 3*d0)" "d3 = BigT/2 - (TAU + p3 + d0)" "TMIN = BigT - 2*(d2 + d0 - D0MAX)" ; min value of T with curr. td1 "TD1MAX = l1*(1 + (d2 - d0)/in0)+1" ; max td1 with current T "DECDUR = d2 + p3 + d3 + LP4 + aq" ; Dec. duration 1 ze ; --- The following delays are included in the --- ; --- program so that they are reported during --- ; --- the ASED-dialoge --- D0MAX ; Max D0-value TMIN ; cnst15 must be >= this value DECDUR ; Total decoupler time dummy, 1u lo to dummy times TD1MAX ; --- d11 2 1u BLKGRAD ; LOCK HOLD off after acq d1 do:f2 3 d11 4 d12 pl12:f2 ; ---------------------------- CT-start ---------- (p1 ph10):f1 d2 cpd2:f2 (p2 ph10):f1 d3 TAU5 do:f2 TAU5 pl2:f2 (p3 ph2):f2 d0 (p2 ph10):f1 d0 50u UNBLKGRAD p16:gp1*EA d16 (p4 ph3):f2 50u p16:gp1*EA*-1 d16 DELTA1 (p3 ph1):f2 TAU ; ---------------------------- CT-end ---------- (p1 ph11):f1 (p3 ph4):f2 ; --- low pass J-filter --- 50u p16:gp2*0.3 d16 LP1 (p3 ph4):f2 50u p16:gp2*0.7 d16 LP2 (p2 ph10):f1 (p3 ph4):f2 50u p16:gp3 d16 pl12:f2 LP3 LP4 cpd2:f2 ; ------------------------- go=2 ph31 1u BLKGRAD d1 do:f2 wr #0 if #0 zd d11 igrad EA lo to 3 times 2 d11 id0 "d2=d2-in0" "d3=d3-in0" lo to 4 times l3 d11 do:f2 BLKGRAD exit ; --- H phases ------------------------ ph10 = 0 ph11 = 1 ; --- X phases ------------------------ ph1 = 0 2 2 0 ph2 = 0 0 2 2 2 2 0 0 ph3 = {0}*4 {1}*4 {2}*4 {3}*4 ph4 = 0 ph5 = 1 ; --- Receiver phases ----------------- ph31 = 0 2 ;pl1 :f1 power level for pulse (default) ;pl2 :f2 power level for pulse (default) ;pl12 :f2 power level for CPD/BB decoupling ;p1 :f1 90 degree high power pulse ;p2 :f1 180 degree high power pulse ;p3 :f2 90 degree high power pulse ;p4 :f2 180 degree high power pulse ;p16 :gradient pulse ; ;d0 :increment delay (3usec) ;d1 :relaxation delay: 1-5*T1 ;d2 :decoupling period, reduced with in0 each inc. ;d3 :decoupling period, reduced with in0 each inc. ;d11 :delay for disk I/O [ 30 msec] ;d12 :delay for power switching [ 20 usec] ;d16 :delay for homospoil/gradient recovery [200 usec] ; ;TAU :1/(J(min) + J(max)) ;TAU1 :1/2(J(min)+0.07(J(max)-J(min)) ;TAU2 :1/(J(min) + J(max)) ;TAU3 :1/2(J(max)-0.07(J(max)-J(min)) ;DELTA :Gradient duration, p16 + d16 + 50u ; ;cnst6 :1J(min), ~125 Hz ;cnst8 :1J(max), ~165 Hz ;cnst15 :T, ~0.018 sec ; ;l1 :No. of subspectra [2] ;l3 :EA-loop counter, td1/2 ; ;nd0 :2 ;MC2 :Echo-Antiecho ;EA :Echo-Antiecho gradient program, [+1 -1] ; ;pcpd2 :Pulse length for cpd on f2 [65 msec] ;cpdprg2 :Cpd-program [garp] ; ;gpnam1 :Gradient pulse 1 file name [SINE.100] ;gpnam2 :Gradient pulse 2 file name [SINE.100] ;gpnam3 :Gradient pulse 3 file name [SINE.100] ;gpz1 :Gradient strength 1 [80%] ;gpz2 :Gradient strength 2, 0.5029*gpz1 [40.23%] ;gpz3 :Gradient strength 3, 2*gpz2 [80.46%] ; ;ns :2, 4, 6, 8, 10, ... ;ds :128 ; ;Processing: ; F1: SSB = 2, WDW = SINE ; F2: SSB = 4, WDW = SINE ; F2: phase to pure absorption (doublet = positive + negative peak) ;