REM *********************************************************************** REM * * REM * COLOC - GMB 2000 * REM * * REM * COrrelation via LOng range COupling with magnitude mode collection. * REM * For determination of heteronuclear long-range correlations: * REM * * REM * 13C: -------------- 180(y) -------- 90(x) ---- d3 ---- Acq(x) * REM * * REM * 1H: 90(x) -- d1 -- 180(x) -- d5 -- 90(y) ---- d3 ---- BBDEC * REM * * REM * Were d1 is t1/2 and d5 is delta1 - t1/2, and d2 is the delta2, the * REM * second constant time delay in the sequence. A BIRD pulse sandwich * REM * can be used before aquisition to supress better direct CH couplings * REM * if so desired by the user... * REM * * REM *********************************************************************** REM Read in coloc conditions... re "c:\eft\c13\coloc.ini" showwin cls print "COLOC Acquisition Program for long-range C/H Connectivity." print print "The relaxation delay needs to be set in the range 1 to 5" print "times the expected T1 for the sample. 2.0 sec is a good" print "general purpose value." print input "Enter a relaxation delay: ",d0 if d0=0 then d0=2 cls print "COLOC Acquisition Program for long-range C/H Connectivity." print print "Setup the 13C and 1H pulsewidths." print define p5 h90 pulses.txt if p5=0 then input "Enter the Decoupler 90 degree pulsewidth ",p5,"us" if p5>0 then print "The Decoupler 90 degree pulsewidth is ",p5,"us" p6=2*p5 define p0 x90 pulses.txt if p0=0 then input "Enter the Observe 90 degree pulsewidth ",p0,"us" if p0>0 then print "The Observe 90 degree pulsewidth is ",p0,"us" p1=2*p0 SLEEP 1 cls print "COLOC Acquisition Program for long-range C/H Connectivity." print print "Enter a value (in ms) for the delay to obtain long-range" print "correlations. A general value of 33 ms is adecuate for" print "C-H couplings of aproximately 10 Hz." print input "Long-range correlation delay (ms): ",d4 d4=1000*d4 ' Second delta in us... if d4=0 then d4=33000 REM Calculate delta1 (total) according to the delta2... d3=3*d4/4 cls print "COLOC Acquisition Program for long-range C/H Connectivity." print print "Enter the number of experiment in the F1 dimenssion." print "Usually, 64 are enough, and more will not be beneficial" print "due to relaxation." input "Number of experiments in F1: ",x REM if the user selects more than 128, force it to 128... if x=0 then x=64 if x>128 then x=128 REM Calculate the maximum SW according to the value of the delta1 REM and the number of experiments. Use variable 'w'... w=x*1e6/(2*d3) cls print "COLOC Acquisition Program for long-range C/H Connectivity." print print "Enter the sweep width in the H1 dimension. It needs to be" print "large enough so that all 1H attached to 13C are covered," print "otherwise you'll have aliasing of cross-peaks, and larger" print "than", w, "Hz to comply with the lenght of the constant" print "delay and number of experiments in F1 selected." print input "Sweep width in H1 dimension (Hz): ",v if v=0 then v=1500 if v. Any file" print "with the same name will be overwritten without warning." print input "Enter output file name, e.g. data\my_coloc: ",f$ if f$="" then f$="data\my_coloc" REM Now set the initial delay and incremental delays... d1=1.0 d2=1e6/(2*v) d5=d3-d1 REM calculate the run time with the revised RD. Remember that we have REM to correct if we are using the BIRD sandwich. Use variable 'w'... w=n*x*(a+d0+(d3+d4)/1e6)/60 if l=1 then w=n*x*(a+d0+(d3+2*d4+2*d6)/1e6)/60 REM print decent significant figures... w=(10*w-(10*w)%1)/10 REM Write the 2D file header... WH2D f$ x v 90.02 REM will use 3*dw/16 delay before turning receiver on... e=3*d/16 REM will use dw/16 delay before turning digitizer on... f=d/16 cls REM now run the COLOC experiment... print "Running COLOC..." print print "Time, in minutes, to complete the experiment: ",w REM Minimal phase cycle for experimentation... a$ = "0000000000000000" '180 13C pulse phase b$ = "0123123023013012" '90 13C pulse phase n$ = "0000000000000000" 'First DEC 90 pulse phase o$ = "0000000000000000" 'DEC 180 pulse phase p$ = "0101010123232323" 'Second DEC 90 pulse phase REM phases for the BIRD pulse sandwich... q$ = "0101010123232323" 'DEC 90 pulse phase r$ = "1212121230303030" 'DEC 180 pulse phase d$ = "0123123023013012" '180 13C pulse phase REM Receiver phase... c$ = "0022113300221133" PROGRAM "clear" PROGRAM 0 d0 S PROGRAM + 2.0 uS PROGRAM + p5 uS DEC HP FX PX n$ PROGRAM + d1 uS PROGRAM + p6 uS DEC HP FX PX o$ PROGRAM + p1 uS TX FX PX a$ PROGRAM + d5 uS PROGRAM + p5 uS DEC HP FX PX p$ PROGRAM + p0 uS TX FX PX b$ PROGRAM + d4 uS if l=1 then goto 200 100 PROGRAM + e uS DEC BB FX PX PROGRAM + f uS RX DEC BB FX PX PROGRAM + 1.0 uS ADC RX DEC BB FX PX PROGRAM + a S RX DEC BB FX PX PROGRAM "coadd" c$ PROGRAM + 1.0 uS FOR i=1 to x ZERO START REM Write the data to the 2D file... WF f$ i 0 REM Increment the t1 delay by d2 and update pulse programer... d1=d1+d2 d5=d3-d1 PROGRAM 3 d1 uS PROGRAM 6 d5 uS cls print "Running COLOC..." print REM calculate the remaining time. Remember to correct if we are REM using the BIRD sandwich... w=n*(x-i)*(a+d0+(d3+d4)/1e6)/60 if l=1 then w=n*(x-i)*(a+d0+(d3+2*d4+2*d6)/1e6)/60 REM print decent significant figures... w=(10*w-(10*w)%1)/10 print "Slice",i,"of",x,"completed - Time remaining",w,"minutes." NEXT cls print "COLOC Experiment Completed." print print "Data written to file ",f$ print print "Use NutsMacro aii_het.mac for processing." input " to exit the pulse program.",g$ goto 1000 REM this is the BIRD pulse section... 200 PROGRAM + p5 uS DEC HP FX PX q$ PROGRAM + d6 uS PROGRAM + p6 uS DEC HP FX PX r$ PROGRAM + p1 uS TX FX PX d$ PROGRAM + d6 uS PROGRAM + p5 uS DEC HP FX PX q$ PROGRAM + d4 uS goto 100 1000 END