Instructons to run ESRP.EXE, and ESREG.EXE

The EPR simulation program PSPM.FOR creates an output file
contining X,Y values of the simulated spectrum. The two
programs ESRP.EXE and ESREG.EXE allow one to plot this spectrum.

The source codes of these programs are ESRP.BAS and ESREG.BAS 

Both the programs are interactive. They also allow one
to superpose the simulated spectrum on the experimental
spectrum. ESREG.BAS allows one to compare several spectra on
a single screen.

The experimental spectrum should be stored in digital form
in a file. The first line in this file should contain three
numbers, viz., the number of points(NPX), the lower limit 
for the y-axis(YEL) and the upper limit for y-axis(YEH). YEL
and YEH should be in the same units as the y-values in the 
experimental spectrum. The following lines should contain x
(field in Gauss) and y-value for each point. There will be 
NPX such lines. 
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ESRP.EXE : To run this program enter ESRP
Respond as follows for the queries:

DRIVE#:FILE   give the name of the file containing the
   simulated spectrum. For eg. if it is the file TESTAX and if
   it is in drive a: the response will be A:TESTAX

SUPERPOSE EXPTL. SPECTRA(1) OR NOT(2)? Give 1 to superpose
   or 2 if only the simulated spectrum is to be plotted

DRIVE#:FILE this question will be asked only if your response 
   to the previous question is 1.  give the name of the file 
   containing the experimental spectrum.       

PHASE -1 or +1. give -1 or 1. this only affects the phase of
   the simulated spetrum.

X-LENGTH AND Y-LENGTH IN CM. give the required values for the
   plot (eg. 20, 10 for a 20 cm. x 10 cm. plot).

SEND TO PLOTTER (P) OR TO FILE (F) ? give P if plotter is to
   be used - plotter should be connected and ready ! any other
   response will send the plotter commands to a file named
   ESR.HP

A note on printing : It may be possible to open the esr.hp file
as a picture using word processing programs and then print the
picture. It may be necessary to rename the file as esr.PLT or
esr.HGL. We use the insert picture mode in MS-WORD and choose
the HP Graphics Language (HGL) option. WORD2 is the simplest
to use. WORD6 also works, but later versions of WORD 
(eg. MS-office 97) does not seem to allow the HGL option.

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ESREG.EXE : To run this program enter ESREG. 

This program can be operated with function keys. There is also 
an HELP key. KEY 8, if pressed will plot spectra in small
windows, so that 6 spectra can be plotted one after the other
in the same screen. There is no possibility of printing from
this program other than via the Print Screen option (if it
works!).		
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NOTE : THE PROGRAMS ARE TESTED IN A LIMITED ENVIRONMENT ONLY.
       KINDLY REPORT PROBLEMS OR ERRORS DETECTED TO
	  
	 M. V. Rajasekharan
	 School of Chemistry, University of Hyderabad
	 HYDERABAD - 500 046. (mvrsc@uohyd.ernet.in)