;h2bc_cteal2 ;avance-version (2005-06-01) ; ;H2BC:Heteronuclear two-bond correlation ;Echo/Antiecho gradient selection ;with second 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 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 + 0.146*(cnst8 - cnst6))*2))" ; Tau1 "TAU2 = (1s/(cnst6 + cnst8))" ; Tau2 "TAU3 = (1s/((cnst8 - 0.146*(cnst8 - cnst6))*2))" ; Tau3 "TAU5 = TAU/2" "LP1 = TAU1 - DELTA" ; LPF "LP2 = TAU3 - DELTA" ; LPF "LP3 = TAU1 - TAU3" ; 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 + LP3 + 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 d16 LP1 (p2 ph10):f1 (p3 ph4):f2 50u p16:gp3 d16 pl12:f2 LP2 LP3 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)+0.146(J(max)-J(min)) ;TAU2 :1/(J(min) + J(max)) ;TAU3 :1/2(J(max)-0.146(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 usec] ;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) ;