Peakoc is a profile fitting software written in C++. It has been developed to run on PC's with a 32-bit Microsoft Windows operating system (in particular NT, 2000 and XP). It has been designed to perform pattern decomposition of powder diffraction data (X-ray or neutrons) but can be used to perform nonlinear least-squares fitting with other kind of data. It takes advantage of the graphical environment of the Windows OS and provides a friendly and easy to use interface.


It can handle large files with data formats (ASCII format) currently in use in powder diffractometry. Several peak shape functions are proposed like Gaussian, Lorentzian, Pseudo-Voigt, Pearson VII, Voigt, or convoluted functions. Most commands (peak searching, profile fitting) can be performed in manual or automatic mode.


The software uses a version of the Levenberg-Marquardt algorithm for the nonlinear least-squares fitting. Peak shape functions parameters can be refined, fixed or constrained during the refinement. Constraints, which are particularly useful in cases of highly overlapped peaks cluster, can be easily defined using the mouse.

At each step of the refinement, the graphical display (yo, yc, yc-yo), the parameter and c2 values are updated in the main window and all the results (refined parameters, sigma values, calculated pattern…) are saved in files.

Corresponding with the author:

Olivier Masson, laboratoire SPCTS (Science des Procédés Céramiques et de Traitements de Surfaces), UMR n°6638 CNRS – Université de Limoges, 123 avenue Albert Thomas, 87060 Limoges Cedex, France. (E-mail).


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