Welcome to CrystalDiffract: a powder diffraction program like no other: designed to make arcane crystallography accessible - and fun - via an intuitive, interactive interface: your desktop diffractometer.
Import experimental data from xy- and Rigaku ASC diffractometer files.
Simulate diffraction patterns directly from CIF, CMTX and CrystalMaker binary files (CMDF and CMDX)
Create new datasets and crystals directly in the program - no other software required.
Share structural data with CrystalMaker via menu commands in both programs (crystal ↔ pattern).
X-ray and neutron powder diffraction.
Energy-dispersive (EDX) and time-of-flight techniques.
Graph and Film display modes.
Logarithmic intensity option.
Particle size and strain broadening.
Preferred orientation (plates or needles).
Extensive control over all aspects of your diffraction experiment, including wavelength, peak shapes, broadening...
Compare multiple patterns in the same window.
Search control for locating diffraction peaks.
Intuitive drag-and-drop mixture creation.
Real-time control over phase proportions.
Combine simulated and observed patterns in the same mixture.
Display mixture- and individual component profiles simultaneously.
Work with multiple mixtures in the same window.
Real-time control of sample and instrument properties, via intuitive slider controls in the Parameters Inspector.
Edit site occupancies live; add or remove occupants on the fly.
Control mixture compositions in real time - compare your changing simulation with observed data in the same window.
Re-scale observed data (x and y).
Smooth data points.
Easy background subtraction with intuitive curve control.
High-resolution vector graphics.
Detailed diffraction data listings.
Export structure factors.
High-resolution profiles (xy data).
Save self-contained session files.
Customize your program preferences.
® CrystalMaker and CrystalDiffract are registered trademarks of CrystalMaker Software Ltd.
See Also