A 2D X-ray pattern generator using PyFAI created by the Butala Research Group (specifically Danielle N. Alverson) to simulate thin film data deposited onto single crystal substrates. Additional information on use in 2025 manuscript and SI.
The SimDAT2D program can be used to generate synthetic X-ray scattering data from two or more distinct scattering contributions (e.g., isotropic, diffuse, and anisotropic). Each contribution is generated individually and combined as a linear combination into a single simulated 2D detector image. This allows for the relative intensities of each to be varied and for each signal to be independently known.
- Isotropic Scattering through Calibrants
- Anisotropic Scattering
- Combination for Synthetic Thin Film 2D
- Rotation and Integration
- Mask Creation
Instructions on how to clone, and get the project running locally.
# Clone the repository
git clone https://github.com/dnalverson/SimDAT2D
# Change into the project directory
cd SimDAT2D
# Install dependencies
pip install -e . --use-pep517
# Start the project
import SimDAT2D as sim
Please see the tutorial notebook for more information.
This project is licensed under the BSD 3-Clause License - see the LICENSE file for details.