File Exchange > Graphing >    X-Ray Diffraction Analysis

Author:
OriginLab Technical Support
Date Added:
10/27/2019
Last Update:
5/31/2023
Downloads (90 Days):
825
Total Ratings:
19
File Size:
346 KB
Average Rating:
File Name:
X-Ray Diff...is.opx
File Version:
1.50
Minimum Versions:
License:
Free
Type:
App
Summary:

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

Screen Shot and Video:
Description:

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

  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

Tips

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 first being 2theta, the second being d-spacing and 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.

Updates:

v1.5 Fix bug of normalizing reference lines
v1.4 Fix bug of GUI
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.

Reviews and Comments:
01/31/2024chethanchethu2551It was good

08/22/2023SHIVAMURTHYgood

08/22/2023SHIVAMURTHYgood

08/22/2023SHIVAMURTHYgood

08/22/2023SHIVAMURTHYgood software

07/03/2023OriginLabHi, AJINKYA SHINGOTE

We will contact you via email to further identify the problem.

OriginLab Technical Support

07/03/2023AJINKYA SHINGOTEThe app crashed every time I used it. It seems that it cannot analyze data with many diffraction peaks.

06/05/2023drrameshIt's working good

01/05/2023OriginLabHi Thomas.k,
About these two questions, could you mind to send us the sample project and the detail steps, then we can try to reproduce the problem on my machine, and to figure out what went wrong?
Thanks, OriginLab

01/04/2023Thomas.kWorks fine most of the time, but crashes if several reference data sets are tried out without replotting the data. Also labelling sometimes disappears when reapplying different reference data sets.

12