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Fityk is a general-purpose nonlinear curve fitting and data analysis software.
Although it is being developed to analyze powder diffraction patterns, it can
be used to fit analytical functions to any kind of data: crystallographic
module is an independent part of the program. Apart from crystallography fityk
is reported to be used also in chromatography, photoluminescence, infrared and
Raman spectroscopy, and in other fields.
At present fityk knows only about common peak-shaped functions (Gaussian,
Lorentzian, Voigt, Pearson VII etc.) and polynomial. User-defined functions
will be implemented in 2005.
In terms of powder diffraction fityk will fit the data with a set of position-
correlated peaks to give the refined lattice parameters, zero-shift, sample
displacement and wavelength.
Fityk offers everything a decent refinement program should offer but first of
all intuitive graphical interface. Apart from the standard Marquardt least-
square algorithm one may choose a genetic algorithm or Nelder-Mead simplex
method for complex or unstable cases.
WWW: http://fityk.sourceforge.net/
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