
PeakFitter 1.0 

Author: Marcus Karolewski
e-mail: karolewski@alum.mit.edu

December 1997, Singapore

PeakFitter is public domain software, and may be freely distributed

INSTALLATION OF PEAKFITTER

No special installation is required. Just copy the package files into
a directory of your choice. (Files with DAT extension are optional
examples.) Use the online Help system to get around. A dump of it is
also found in the file MANUAL.RTF. The executable file is PEAKFIT.EXE.
There is *no* need to add the PeakFitter directory to your AUTOEXEC
path statement.

PeakFitter does not modify any files on your computer. to remove
PeakFitter, just delete the directory which you put it in.

WHAT IT DOES

PeakFitter fits functions defined by the user to data sets. The functions
don't necessarily have to be spectral peaks, although this is a major
application of such programs. (The author uses the program mainly
for parameterising interatomic potentials.)

PeakFitter can also fit data sets by linear combination of reference
sets stored in disk files.

EXAMPLES

A few simple examples of are provided for learning purposes.

(a) GAUSS.DAT is a Gaussian curve with superimposed noise. The fitting
coefficients are in the region of c1 = 1.0 (height), c2 = -2.4 (position),
c3 = 0.37 (FWHM). If you have trouble fitting this with a Gaussian
function, use the "Genius" to set it up.

(b) The file FIT.DAT is a simple sum of the files FIT1...FIT3.DAT. The
file FITN.DAT is FIT.DAT with noise added. You can try using the Fit
Reference data function on first, FIT.DAT, then FITN.DAT. The idea is
to find the best linear combinations of FIT1, FIT2 and FIT3. To make it
more interesting, try varying the initial guesses.




