EXAMPLES
========

The files in the DAT directory are as follows:

AG11.DAT: XPS spectrum (Ag 3d)

FREQ.DAT is an example input file for PRISM (the y-data are
simply random numbers). You can practice reading this file
into PRISM, smoothing it, re-saving it etc.


PT1C1HN.DAT
       This is a simulated spectrum in the 'bar plot' (histogram)
       format for the cluster mixture:
       PtC (1), PtCH (10), PtCH2 (10), PtCH3 (1), where the numbers
       in parentheses indicate relative intensities.
 
       This spectrum can be used to demonstrate the operation of 
       the Fit|Spectrum routine. 

       Enter the fitting formula 'Pt01C 01H 03', and leave
       other parameters at their default values. You will see that
       the fitted ratios are:
         26:297:297:24 (= 0.87:10:10:0.81)
       whereas the ideal ratios should be:
         1:10:10:1. 
       It is to be expected that the % error is greatest for
       the smaller peaks, as these have least influence in the
       least-squares minimisation process.

       (Note: the spectrum was simulated by generating two 
       FORMULA.SCR/DAT files for the clusters:
       (1) PtC, PtCH, PtCH2, PtCH3
       (2) PtC,PtCH3
       The respective data were read into different caches in PRISM.
       Then data (2) were scaled by 0.9; the resulting data were
       subtracted from (1) to give PT1C1HN.DAT. The subtraction
       only works if both files span the same mass range, as they 
       do in this case. )
       If you fit to the formula 'Pt01C 01H 02', you will find that 
       it is also possible to get a good fit (as measured by the
       'Fit' parameter). 'Pt01C 01H 01' gives Fit = 0.15, which is
       terrible. Since the inclusion of the 3rd H doesn't change
       the fit much, you might want to be cautious about accepting
       its presence if these data were based on a real experiment.
