REM *********************************************************************** REM * * REM * 1D INADEQUATE pulse program - 000205, GMB * REM * * REM * Incredible Natural Abundance Double QUAntum Transfer Experiment. * REM * For the detection of 13C-13C directly coupled systems through the * REM * generation of double quantum coherence. The pulse sequnce is: * REM * * REM * 13C: 90(x) - d1 - 180(y) - d1 - 90(x) - d2 - 90(phi) - Acqu(psi) * REM * * REM * 1H: BBDEC BBDEC BBDEC BBDEC BBDEC BBDEC BBDEC BBDEC BBDEC BBDEC * REM * * REM * d1 is set to 1/4JCC, and d2 is set to 2 uS. The phase cylce for the * REM * read pulse and the receiver are designed to select double quantum * REM * and filter single quantum (isolated 13C nuclei) coherence. * REM * * REM *********************************************************************** showwin cls REM Do not read 1C conditions, as we may want to be able to REM change the number of scans interactively... print "INADEQUATE Pulse Program for 13C-13C 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 "INADEQUATE Pulse Program for 13C-13C Connectivity." print print "Setup the 13C pulsewidths." print define p0 x90 pulses.txt if p0=0 then input "Enter the Observe 90 degree pulsewidth: ",p0 if p0>0 then print "The Observe 90 deggree pulsewidth is ",p0,"us" p1=2*p0 SLEEP 1 cls print "INADEQUATE Pulse Program for 13C-13C Connectivity." print print "By selecting the proper delays, DQC from different" print "13C-13C spin systems can be detected. The value of" print "the JCC will depend on the type of molecule and" print "bond. Enter a JCC value for detection of DQC in Hz." input "JCC coupling constant (Hz): ",j REM In function of j calculate d1... d1=1e6/(4*j) d2=2 cls print "INADEQUATE Pulse Program for 13C-13C Connectivity." print print "Enter the number of blocks of data to acquire (default 1)." print "Entering more than 1 block will automatically set the" print "spectrometer to run in block averaging mode." input "Number of blocks of data to acquire: ",b if b<1 then b=1 if b=1 then goto 100 cls print "INADEQUATE Pulse Program for 13C-13C Connectivity." print print "Enter a file name for the data. The default file" print "my_indq can be used by pressing . Any file" print "with the same name will be overwritten without warning." print input "Enter output file name (data\my_indq): ",f$ if f$="" then f$="data\my_indq" 100 cls print "INADEQUATE Pulse Program for 13C-13C Connectivity." print if b>1 then print "The spectrometer is set to do",b,"blocks of",n,"scans each." if b>1 then print print "Running INADEQUATE. Hope you have a thick sample..." REM write 2D file header if running more than 1 block... if b>1 then WH2D f$ b 0 0 REM Minimal phase cycle for experimentation. Just DQF selection... a$ = "0000" b$ = "0000" c$ = "0321" d$ = "0123" PROGRAM "clear" PROGRAM 0 d0 S DEC BB FX PX PROGRAM + 2.0 uS DEC BB FX PX PROGRAM + p0 uS TX DEC BB FX PX a$ PROGRAM + d1 uS DEC BB FX PX PROGRAM + p1 uS TX DEC BB FX PX b$ PROGRAM + d1 uS DEC BB FX PX PROGRAM + p0 uS TX DEC BB FX PX a$ PROGRAM + d2 uS DEC BB FX PX PROGRAM + p0 uS TX DEC BB FX PX c$ PROGRAM + 1.0 uS ADC RX DEC BB FX PX PROGRAM + a S RX DEC BB FX PX PROGRAM + 0.02 S RX DEC BB FX PX PROGRAM "coadd" d$ PROGRAM + 1.0 uS DEC BB FX PX FOR i=1 to b print ZERO START w=d0*i if i=1 then wr "c:\eft\data\pnmr.fid" if b=1 then goto 200 WF f$ i w cls print "Running INADEQUATE..." print print "Block",i,"of",b,"completed." NEXT 200 cls print "INADEQUATE Experiment completed." if b=1 then goto 300 print print "Block averaging experiment completed. Total scans",n*(i-1),"." input " to continue...",g$ cls print "Use to transfer to NUTS for data processing." print "First import and process the first block , select an" print "isolated peak for registration, create zoom region 0 about it." print "Then run aii_Cbapr.mac, which will align and add all blocks." input " to continue...",g$ cls print "The raw data is saved as file",f$,"which will be" print "overwritten without warning if the same name is used" print "again. To save the data move it to another directory." 300 input " to exit the pulse program...",g$ END