Processing of powder electron diffraction patterns
Project description
EDIFF :: processing of powder electron diffraction patterns
- EDIFF is under development, but key modules do work:
- io = input/output data treatment
- background = background subtraction
- center = find center of 2D powder diffraction pattern
- radial = calculate radial distribution (2D-pattern ⇒ 1D-pattern)
- pxrd = calculation of theoretical powder X-ray diffraction patterns
- If you use EDIFF in your research, please cite the OpenAccess paper:
- Materials 14 (2011) 7550. https://doi.org/10.3390/ma14247550
- The paper describes {stemdiff} package, {ediff} is a part of it.
Installation
- Requirement: Python with sci-modules: numpy, matplotlib, scipy, pandas
pip install scikit-image
= 3rd party package for advanced image processingpip install pymatgen
= 3rd party package employed in PXRD calculationpip install bground
= our package, interactive background subtractionpip install ediff
= EDIFF package itself (uses all packages above)
Quick start
- See how it works:
- Look at worked example in Jupyter.
- Try it yourself:
- Download complete examples with data and scripts and basic instructions.
- After downloading, unzip it and follow the instructions in readme file.
Documentation, help and examples
- PyPI repository.
- GitHub repository.
- GitHub Pages with documentation.
Versions of EDIFF
- Version 0.0.1 = just draft
- Version 0.0.2 = pxrd module works
- Version 0.0.3 = pxrd module works including profiles
- Version 0.0.4 = bground module incorporated + slightly improved docstrings
- Version 0.1 = 1st semi-complete version with basic documentation
- Version 0.1.1 = improved/simplified outputs
- Version 0.1.2 = small improvements of code and documentation
- Version 0.2 = important improvements of center.py
- Version 0.2.2 = consolidation, update of docs and examples on www
- Version 0.2.3 = small update of docs and citation
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