Resonant structure factors
The package is designed to simplify resonant scattering calculations for crystallographic and diffraction studies, providing efficient workflows for:
- Energy-dependent resonant structure factor calculations
- Resonant and non-resonant scattering contributions
- Reflection-specific calculations
- Energy scans across absorption edges
- Integration into diffraction and synchrotron data analysis pipelines
pip install resSFgit clone https://github.com/xraysoftmat/resSF.git
cd resSF
pip install -e .[dev]✅ Resonant structure factor calculations
✅ Energy-dependent scattering amplitudes via kkcalc2
✅ Support for arbitrary reflections (hkl)
✅ Suitable for synchrotron and diffraction applications
Documentation is available at:
Coming soon...
Run the test suite with:
pytest