Purpose
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.
Installation
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.
Features
- 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
- 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.
- Select the desired reference patterns and the color assignments
- Select the desired font, color, and angle (in degree) for label text.
- Specify whether to normalize the reference pattern
- Click Apply to add the patterns for analysis
- 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
Tips
This app allows adding your own reference patterns to the database:
- Right-click on the app icon and select Show in Folder.
- Open Reference Data.opju.
- 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.
- Each worksheet should consist of three columns with the first being 2theta, the second being d-spacing and the third being optional for labels (h, k, l).
- Add “X”, “Y”, “Label” as column long names respectively.
- Rename the worksheet with the name of the reference pattern and add the comments if available.
- Free to organize various worksheets by any number of workbooks and folders for data from different organizations, companies or individuals.
- 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.