DiffPy

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

An open-source application for atomic structure analysis from powder diffraction data. This application can calculate atomic coordinates, valence sums, and chemical bonds from diffraction data of crystals, nanostructures, and amorphous materials. It is written in Python, and realizes multi-functional fitting and flexible data analysis.

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GSAS-II

  • Level of openness 2 ★★☆
  • Document quality 2 ★★☆

An application for the single-crystal analysis and the Rietveld analysis used in X-ray and neutron diffraction experiments. This application determines crystal structure models of materials from X-ray and neutron diffraction data on single-crystal and powder samples. It has been developed based on Python. Graphical user interface (GUI) can be used.

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FullProf

  • Level of openness 2 ★★☆
  • Document quality 2 ★★☆

An application for the Rietveld analysis used in X-ray and neutron diffraction experiments. This application determines lattice constants and atomic coordinates from X-ray and neutron diffraction data on powder samples. It supports Windows and Linux. For Windows version, graphical user interface (GUI) named WinPLOTR can be used.

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RIETAN-FP

  • Level of openness 2 ★★☆
  • Document quality 2 ★★☆

An application for the Rietveld analysis used in X-ray and neutron diffraction experiments. This application determines lattice constants and atomic coordinates from X-ray and neutron diffraction data on powder samples by pattern fitting based on the maximum entropy method (MEM). It can also analyze materials with random atomic configuration effectively. It supports Windows and Mac OS, and is still being developed actively.

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