Origin-PXRD

A plugin for importing experimental patterns and calculating theoretical patterns for PXRD in OriginLab’s OriginPro software.

The python code for calculating theoretical patterns from CIF files has been moved to a PyPI package, cif2xrd, to be used by any python runtime. Visit the PyPI page or the cif2xrd GitHub for more information.

This plugin is a companion for cif2xrd.originlab. cif2xrd.originlab wraps the simulation code into commands for importing patterns directly into OriginPro, with additional features such as:

• Dynamically scaling by phase fraction.
• Adding dynamic X columns in Q-space instead of 2θ.
• Square or Square-root intensities.
• Import experimental data in matching format (currently only supported for Rigaku *.RAS file format)

Origin-PXRD goes even further by wrapping cif2xrd.originlab into a convenient dropdown menu, and adds another menu for managing annealing profiles for solid-state synthesis.

This plugin is primarily used by Kovnir and Zaikina research groups at Iowa State University, Department of Chemistry

Are you NOT from Kovnir or Zaikina group and want to use this plugin? Fill out a feature request below to let me know what you’re using it for.

Where to go from here?

• Updating or Installing the Plugin
• Having trouble installing or using the plugin? Visit the FAQ or fill out a bug report below.
• Looking for examples on how this plugin can be useful to you? See some examples.
• Looking for more details on how to use a feature? Visit the Options Summary
• Curious about how the plugin simulates CIF patterns? Visit the CIF Calculation Method

Bug reports or Feature Requests

• No GitHub Account? use this form
• If you have a GitHub account:
  • Create a bug report
  • Request a feature
  • Other feedback

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