REM ************************************************************************ REM * * REM * SEFT pulse program - 000405, GMB * REM * * REM * Spin-Echo Fourier Transform experiment for determination of 13C * REM * multiplicity. This ppg is for demonstration purposes - USE DEPT, * REM * REINEPT, or PENDANT for routine determination of 13C multiplicity * REM * * REM * 13C: -- d1 -- 90(x) -- d2 -- 180(x) -- d2 -- Acqu(x) * REM * * REM * 1H: -- BBDEC --- | -- d2 -- | ------- BBDEC ------- * REM * * REM * Were d2 is set to 1/JCH. The value of JCH has to match the type of * REM * carbon in order for the spin-echo to work properly... * REM * * REM * Do not read in conditions. Current conditions (NS, SW, DS, etc.) * REM * should be used. * REM * * REM ************************************************************************ showwin cls print "SEFT Program for 13C Multiplicity Determination" 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 define p0 x90 pulses.txt print "SEFT Program for 13C Multiplicity Determination" print print "Setup the 13C pulsewidths." print if p0>0 then print "The observe 90 degree pulse chosen is ",p0,"us" if p0=0 then input "Enter the observe 90 degree pulse: ",p0 p1=2*p0 SLEEP 1 cls print "SEFT Program for 13C Multiplicity Determination" print print "In order to get maximum 1H to 13C polarization" print "transfer, the proper JCH coupling constant has" print "to be known. An average can also be used." input "Enter the JCH coupling constant (Hz): ",j REM Calculate d2 as a function of JCH... d2=1e6/j cls print "SEFT Program for 13C Multiplicity Determination" 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 "SEFT Program for 13C Multiplicity Determination" print print "Enter a file name for the data. The default file" print "my_seft 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_seft): ",f$ if f$="" then f$="data\my_seft" 100 cls print "Running SEFT..." REM write 2D file header if running more than 1 block... if b>1 then WH2D f$ b 0 0 REM Phase cycle is EXORCYCLE a$ = "0000111122223333" b$ = "0213132013202013" c$ = "0022113300221133" PROGRAM "clear" PROGRAM 0 d0 S DEC BB FX PX PROGRAM + 2.0 uS DEC BB FX PX PROGRAM + p0 uS TX FX PX a$ PROGRAM + d2 uS FX PX PROGRAM + p1 uS TX DEC BB FX PX b$ PROGRAM + d2 uS DEC BB FX PX 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" c$ PROGRAM + 1.0 uS DEC BB FX PX for i=1 to b ZERO START if i=1 then wr "c:\eft\pnmr.fid" if b=1 then goto 200 w=d0*i WF f$ i w cls print "Running SEFT..." print print "Block",i,"of",b,"completed." NEXT 200 cls print "SEFT 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