XRD Calculator


This package creates a simulated XRD pattern from a single crystal metal or a binary metal alloy. Base inputs are the cubic structure (SC, FCC, or BCC), lattice parameter, alloy composition, and x-ray wavelength. Output is a vertical lines at appropriate 2-Theta (angle in degrees) for the n=1 and n=2 diffraction lines up to the {333} family of planes, scaled by their hkl diffraction intensities ratios and alloy composition. You can also tag/untag the lines and generate a report to a notebook.

I used this experiment to generate a simulated XRD pattern and "play" with the input parameters to illustrate how the pattern will change depending on crystal structure, lattice parameter, alloy composition, and x-ray wavelength.


A panel is used to input all the parameters. The graph updates dynamically.

Distribution Details

  • Experiments: XRDCalculator
  • Procedure Files: XRDCalculator.ipf
  • XOPS: none
  • Demos: none
  • Requires Packages: none
  • Benefits from Optional Packages: none
  • Help Files: none
  • Documentation: the Web pages for this project and a notebook

Installation and Use

You MUST istall the XRDCalculator.ipf file into your User Procedures folder. The demo experiment XRDCalculator.pxp requires this. You can make an alias (shortcut) to the XRDCalculator.ipf file to place in the Igor Procedures folder as a way to have the procedure always available.

The demo includes a notebook of brief instructions. The panel and graph (and Packages folder) can be regenerated by selecting the Misc:Panels:XRDCalculator menu.


Project Details

Project CVS: http://svn.igorexchange.com/viewvc/packages/XRDCalculator/

Current Project Release

XRDCalculator IGOR.6.10.x-2.1

Release File: XRDCalculator-IGOR.6.10.x-2.1.zip
Version: IGOR.6.10.x-2.1
Version Date: Tue, 12/08/2009 - 08:30 am
Version Major: 2
Version Patch Level: 1
OS Compatibility: Mac-Intel Windows
Release Notes:


This (first SVN) release fixes some bugs and adds new features. See the SVN release notes here for details.
View All Releases




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