Calculate Crystallite Size from XRD with Python (STOP USING ORIGIN FOR THIS)
With the powerxrd Python package.https://github.com/andrewrgarcia/powe...
NEED HELP? If you have any problems running the package or want to report bugs , please submit your requests to the powerxrd Issues section. My response is faster through that medium: https://github.com/andrewrgarcia/powe...
This package uses the functions from an older repository which have been compared and validated against Origin in this older Youtube video ( • Calculate Crystallite Size & FWHM fr... )
Special thanks to / @bernardgridley3803 for suggesting the multi-peak application at 18:55
Notebook tutorial: https://colab.research.google.com/dri...
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TIMESTAMPS
1:41 Setup: pip install powerxrd
3:13 Example for usage starts: the git clone
4:17 Create a new file and import modules
5:20 The xrd.Data class
6:50 The xrd.Chart class
8:43 Make a simple plot
9:43 The backsub method: background subtraction
14:15 The SchPeak method: Crystallite size calculation for a single peak
17:00 The `show` kwarg: runs plot processing functions internally
17:37 Bam! magic: running SchPeak
19:00 The allpeaks method: Automated crystallite size of all peaks in chart.
20:42 22:17 The peak height threshold for SchPeak calculation
22:25 The second tolerance: peak-to-trough distance.
23:15 running allpeaks
25:14 Running mean of data: A noise reduction initiative
27:41 Thanks!
Open-source (GitHub): https://github.com/andrewrgarcia/powe...
