CrystalDiffract screenshot

CrystalDiffract stands at the forefront of cutting-edge software designed to revolutionize the way researchers and scientists analyze crystal structures. Tailored for professionals in the field of mineralogy and materials science, this powerful tool offers an array of features aimed at enhancing precision and efficiency in X-ray and neutron powder diffraction analysis...

CrystalDiffract Key Features:

Real-Time Parameter Controls:

CrystalDiffract provides dynamic parameter controls, allowing users to experiment with diffraction and sample settings in real-time, with instant feedback.

Rietveld Structure Refinement:

Introducing a state-of-the-art "Rietveld" refinement engine, CrystalDiffract enables precise refinement of observed diffraction patterns with reference to a starting structure.

Highly optimized for performance and takes full advantage of modern, multi-core processors.

Multi-Phase Rietveld Structure Refinement:

The software allows refinement of diffraction patterns from mixtures of phases, calculating the weight fraction of each component.

Quick and easy refinement controlled through the user-friendly Refine Inspector’s Control tab.

Comprehensive Phase Identification:

CrystalDiffract introduces a Phase ID command, facilitating the identification of unknown patterns.

An archive of nearly 500,000 diffraction patterns derived from the Crystallography Online Database enhances phase identification accuracy.

Diffraction Simulations:

Powerful x-ray and neutron powder diffraction simulation capabilities for a variety of experimental conditions.

Multi-processing capabilities enable fast profile simulation, while real-time adjustment of diffraction and sample parameters puts users in complete control.

CrystalMaker Integration:

Seamless integration with CrystalMaker 11, allowing users to view crystal structures in one window and corresponding powder diffraction patterns in another.

"Live Intensity Mode" enables real-time editing of crystal structures in CrystalMaker with immediate updates in CrystalDiffract.

Analyzing Experimental Data:

Import and compare multiple experimental datasets for thorough analysis.

Real-time manipulation, rescaling, and background corrections ensure accurate interpretation of observed data.

Gorgeous Graphics:

CrystalDiffract offers stunning displays with high-resolution vector formats for easy sharing and integration into other programs.

Extensive control over display elements, including pattern colors, line styles, transparency, shadows, and more.

Crystal Structures Included:

A self-contained crystal editor allows users to build diffraction simulations from scratch.

Import crystal structures from CIF, CMTX, or CrystalMaker documents, or leverage the library of 1,000 expertly-curated crystal structures.

Cross-Platform Compatibility:

CrystalDiffract is available for 64-bit Windows and macOS, ensuring easy cross-platform collaboration.

Both versions share the same binary file format and similar feature sets.

Data Output:

Save work as a self-contained document for future access.

Export entire diffraction patterns, reflexions lists, structure factors, and crystal structure data in various formats, including CIF and CMTX.

CrystalDiffract emerges as an indispensable tool for materials scientists and mineralogists, providing an intuitive and feature-rich environment for crystallographic analysis. Whether refining diffraction patterns, identifying unknown phases, or simulating multi-phase mixtures, this software excels in delivering accurate and efficient results.

Unlock the potential of crystallography with CrystalDiffract - where precision meets innovation.

CrystalDiffract - Chanelog:

Improved Peak Search: Automatic peak search for observed datasets has been improved so that it works better for low angle data. In addition, a new "minimum peak separation" parameter allows for finer-scale control over differentiation between intensity maxima.

Improved Inspector Control: When the Inspector is in its default "Auto Close" mode users can now automatically open or close all other disclosure groups by holding down the shift key when clicking a group.

Miscellaneous Changes: This version includes miscellaneous enhancements and bug fixes.

Improved the appearance of Inspector disclosure groups, using thinner horizontal separators.

Fixed a potential slowdown with the Loupe tool when working with certain observed datasets.

Fixed a bug subtracting the background when the background is autocalculated.

Fixed an issue showing the cursor for the first time when it is out of visible range.

Observed pattern labels are now updated when calculating the peaks.

The Loupe now works properly on high DPI screens.

Download CrystalDiffract:

Size: 159.92 MB