crystaldiffract ☆
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Description:
Powder diffraction software including phase ID & Rietveld refinement
Type: Cask  |  Latest Version: 7.2.2@0  |  Tracked Since: Dec 17, 2025
Links: Homepage  |  formulae.brew.sh
Category: Other
Tags: crystallography diffraction materials-science rietveld xrd scientific
Install: brew install --cask crystaldiffract
About:
CrystalDiffract is a specialized software tool for simulating and analyzing powder X-ray and neutron diffraction patterns. It enables users to predict diffraction data from crystal structures and perform phase identification. The software provides powerful tools for Rietveld refinement, allowing for quantitative phase analysis and structural optimization.
Key Features:
  • Powder diffraction pattern simulation
  • Phase identification and matching
  • Rietveld refinement capabilities
  • Support for X-ray and neutron data
  • Interactive data analysis tools
Use Cases:
  • Materials science research and characterization
  • Geological sample analysis
  • Pharmaceutical compound identification
  • Quality control in materials production
Alternatives:
  • FullProf – Free alternative for Rietveld refinement, but with a steeper learning curve and less modern interface
  • GSAS-II – Open-source suite for crystallographic analysis, more comprehensive but complex for basic diffraction tasks
Version History
Detected Version Rev Change Commit
Jan 7, 2026 12:54pm 7.2.2 0 VERSION_BUMP 98df3181
Sep 18, 2025 12:55pm 7.2.0 0 VERSION_BUMP 9e53c30c
Jul 30, 2024 8:04pm 7.0.4 0 VERSION_BUMP bd5967df
Jul 24, 2024 2:29pm 7.0.3 0 VERSION_BUMP a02d9cdf
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