22 lines
1.1 KiB
Text
22 lines
1.1 KiB
Text
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/
|