Our goal is to determine the position of the center of the highest peak. GETTING STARTED 2.1 The minimal example Let us analyze a diffraction pattern of NaCl. There are also people using it on MacOS X (see details in the wiki). The GUI version is written using the wxWidgets library and can be run on Unix species with GTK+ and on MS Windows. Data and curves fitted to data are visualized with gnuplot (if it is installed). If the CLI version was compiled with the GNU Readline Library, command line editing and command history as per bash will be available. Remember that you must set correctly standard deviations of y’s of points, otherwise you will get wrong results.ġ.3 GUI vs CLI The program comes in two versions: the GUI (Graphical User Interface) version - more comfortable for most users, and the CLI (Command Line Interface) version (named cfityk to differentiate). In case you are not familiar with the term weighted sum of squared residuals or you are not sure how it is weighted, have a look at Nonlinear optimization.
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To contact the author, visit the same page.ġ.2 How to read this manual After this introduction, you may read the Getting started, look for tutorials in wiki and postpone reading the manual until you need to write a script, put constraints on variables, add user-defined function or understand better how the program works. You can download the latest version of fityk from (or ).
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Fityk is free software you can redistribute and modify it under the terms of the GPL, version 2 or (at your option) any later version. the width of a peak can be an independent variable, the same as the width of another peak, or can be given by complex (and general for all peaks) formula. The main advantage of the program is flexibility - parameters of peaks can be arbitrarily bound to each other, e.g.
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Fityk offers various nonlinear fitting methods, simple background subtraction and other manipulations to the dataset, easy placement of peaks and changing of peak parameters, support for analysis of series of datasets, automation of common tasks with scripts, and much more. Although the author has a general understanding only of experimental methods other than powder diffraction, he would like to make it useful to as many people as possible. It is reportedly used in crystallography, chromatography, photoluminescence and photoelectron spectroscopy, infrared and Raman spectroscopy, to name but a few. There are also people using it to remove the baseline from data, or to display data only. The most concise description: peak fitting software. INTRODUCTION 1.1 What is the program for? Fityk is a program for nonlinear fitting of analytical functions (especially peak-shaped) to data (usually experimental data). Įxtensions 4.1 How to add your own built-in function. Reference 3.1 Data from experiment 3.2 Model. Introduction 1.1 What is the program for?.
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