- Fityk fi:tik is a program for data processing and nonlinear curve fitting. By scientists who analyse data from powder diffraction, chromatography, photoluminescence and photoelectron spectroscopy, infrared and Raman spectroscopy, and other experimental techniques,; to fit peaks – bell-shaped functions (Gaussian, Lorentzian, Voigt, Pearson VII, bifurcated Gaussian, EMG.
- Gaussian 16 Installation Instructions for Mac OS X In order to run Gaussian 16, several UNIX environment variables must be set in each user’s account. If you are comfortable using UNIX, Gaussian 16 can be set up using the normal instructions for binary UNIX systems. The following alternate instructions make minimal use of UNIX commands.
Excellent GUI and command-line curve fitting tool
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Fityk [fi:tik] is a program for data processingand nonlinear curve fitting.
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Primarily used
- by scientistswho analyse data from powder diffraction, chromatography,photoluminescence and photoelectron spectroscopy,infrared and Raman spectroscopy, and other experimental techniques,
- to fit peaks – bell-shaped functions (Gaussian, Lorentzian, Voigt,Pearson VII, bifurcated Gaussian, EMG, Doniach-Sunjic, etc.),
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but it is suitable for fitting any curve to 2D (x,y) data.
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- intuitive graphical interface (and also command line interface),
- support for many data file formats, thanks tothe xylib library,
- dozens of built-in functions and support for user-defined functions,
- equality constraints,
- fitting systematic errors of the x coordinate of points (for exampleinstrumental zero error or sample displacement correctionin powder diffraction),
- manual, graphical placement of peaks and auto-placement using peak detectionalgorithm,
- various optimization methods (standard Marquardt least-squares algorithm,Genetic Algorithms, Nelder-Mead simplex),
- handling series of datasets,
- automation with macros (scripts) and embedded Lua for more complex scripting
- the accuracy of nonlinear regression verifiedwith reference datasets from NIST,
- an add-on for powder diffraction data (Pawley refinement)
- modular architecture,
- open source licence (GPLv2+).
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MS Windows: fityk-1.3.1-setup.exe
Mac OS X (10.6 or later): fityk-1.3.1-osx.zip
Linux: binaryRPM and deb packages(files)for about 10 distros (incl. Ubuntu, Fedora, Suse), 32- and 64-bit.
Source code: GitHub(releases)
Installers for ver. 1.0+ used to be available to paid subscribers only.This made version 0.9.8more popular than more recent releases.To change this situation the latest binaries are no longerpaywalled.The author is grateful to all people who supported Fityk with subscriptions.
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Version 1.3.1 was released on 2016-12-19(changelog).New version notificationsare delivered via email and feeds.
- Manual(chapters Introduction, Getting Started, Data,Models, Curve Fitting, Scripts, All the Rest).
- PDF, ePUB and older versions of the manual can be downloadedfrom Read the Docs.
- Fityk Wiki(you are welcome to contribute).
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Citing Fityk in academic papers:M. Wojdyr,J. Appl. Cryst. 43, 1126-1128(2010)[reprint]
- Google group fityk-users(you may select “no mail” and use it like forum)
- or wojdyr@gmail.com
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Feel free to send questions, comments, requests, bug reports,and success stories.Asking for a new feature usually results in adding the request tothe TODO listor, if it already is in the list, in assigning higher priority to it.