[CHM 331] Non-Linear Fitting in Mathematica

[Andrew J. Pounds]

I have attached a /Mathematica/ Notebook which essentially accomplishes 
the same thing we did in class today.  It requires some sophisticated 
knowledge of how Mathematica stores data objects, but now that I've done 
that for you it should be pretty easy to get /Mathematica /to fit your data.

There are a couple of things to note.

1.  In the first line I have it pointing to a file on my computer.  I 
had to specify the complete path.  You have to modify this to point to 
where your data is located.


2. The FindFit function gives you the option to specify the starting 
quess for each of the parameters (a1, x1, etc).  You may have to change 
these values to get FindFit to locate your peaks properly.


3. I have to create the fitted function to a list of points so I could 
display it alongside the raw data.


Please let me know if you have any questions.



-- 
Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627
http://faculty.mercer.edu/pounds_aj

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