Process your first spectrum using efp and phase it perfectly, manually. You need all subsequent spectra in the kinetic run to be phased in exactly the same way.
Type multicmd
Specify NORMAL
Enter number of experiments to which to apply each command
Enter first processing command (e.g., efp) – [OK]
Enter second processing command (e.g., abs) – [OK]
When you have entered all the commands you want to use, select [OK], not [Close] instead of entering another command. Then select [OK] again to execute the command(s).
Commands you might want to use: efp and abs. The macro will then use [efp] then [abs] for all the datasets you have specified; it will phase the specified spectra exactly the same as the first one you phased manually.
Integrate a good example spectrum of the kinetic run, where you have both starting material and product and save regions to ’intrng’ using the icon.
Then write a new integral file with command wmisc. Select [Write New] and enter a filename xxx.
Finally, go to the first spectrum of the kinetics run and use the command multi_integ3 and answer the following:
Use EXPNOs(0) or PROCNOs((1)
0
Enter first experiment No
e.g. 2
Enter no of experiments
e.g. 30
Enter name of intrng file
xxx (from step 5)
In this example, the program calculates all the integrals in files 2…….31 and the results are conveniently presented as a txt file in the experiment you performed the multi_integ3 command in, with the processed spectrum: /opt/data/username/filename/expno/pdata/procno/filename_int.txt
(the text in italics will vary depending on the user and filename).
This table of integral values can easily be imported into Excel as a Space and Tab delimited file for plotting and for calculations of rate constants.