File Exchange > Graphing >    X-Ray Diffraction Analysis

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This app can help to do simple X-Ray diffraction analysis in Origin.

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This app can help to do simple X-Ray diffraction analysis in Origin.

To help you get started, we include a database of X-ray diffraction patterns named “Reference Data.opju” with this app. Data comes from the Crystallography Open Database.


Download the file X-Ray Diffraction Analysis.opx, and then drag-and-drop onto the Origin workspace. An icon will appear in the App Gallery window.


  • Easy to load and exam the reference patterns for identifying phases.
  • Easy to retrieve patterns from the database.
  • Automated perform normalization on the reference pattern.
  • Allow users to save settings and selections with a unique name for use in later analysis.
  • Free to add reference patterns to the database.

Basic Usage

  1. Activate the graph with a diffraction pattern of material, and click the app icon. This app lists all reference patterns of the specified database (named Reference Data.opju) with names and comments.
  2. Select the desired reference patterns and the color assignments
  3. Select the desired font, color, and angle (in degree) for label text.
  4. Specify whether to normalize the reference pattern
  5. Click Apply to add the patterns for analysis
  6. Optionally click Save Theme button to save the settings and selections as a theme. Once you save a theme, you can apply it by clicking Apply Theme button


This app allows adding your own reference patterns to the database:

  1. Right-click on the app icon and select Show in Folder.
  2. Open Reference Data.opju.
  3. Add a new worksheet for a reference pattern. This app will scan the data on the sheet level, so please put one reference pattern data into one worksheet only.
  4. Each worksheet should consist of three columns with the third being optional for labels (h, k, l).
  5. Add “X”, “Y”, “Label” as column long names respectively.
  6. Rename the worksheet with the name of the reference pattern and add the comments if available.
  7. Free to organize various worksheets by any number of workbooks and folders for data from different organizations, companies or individuals.
  8. Above all, remember to save the changes.

Note: In case of data loss, please save the Reference Data.opju to another folder and then restore it after updating the app to the new version.


v1.35 Fix bug of sample opju file
v1.3 Support rug mark feature
v1.1 Fix issue of COM object
v1.05 Change the name of the reference data opju file
v1.01 Fixed the typo of the title bar.

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