xraydb
calculations with XrayDB: reference data for X-ray interactions with matter
Decision gist · record as of 2026-08-14
Yes. XrayDB is production-stable, actively maintained, carries no known vulnerabilities, and installs with low friction. If you work with X-ray data or need reliable reference properties for X-ray physics calculations, it is a solid choice. The MIT license and Public Domain data pose no restrictions.AI-flagged interpretation of the facts on this page — verify before relying
Before you install
- Low friction installation with a pure-Python wheel.
- Maintenance is active with recent commits and stable production status across modern Python versions (3.9–3.13, including PyPy).
License · maintenance · safety
MIT (permissive) — MIT license is permissive; you can use, modify, and distribute the package with minimal restrictions. The underlying data is in the Public Domain.
last release 2025-07-18 (392 days) · last repo commit 2026-06-06 · 77 stars
0 known vulnerabilities (OSV.dev, 2026-08-14) · 73,728 downloads/mo, #14,941 on PyPI
Alternatives
Verify before relying
pip install xraydb
import xraydb
db = xraydb.XrayDB()
mu = db.mu_chantler('Fe', 10.0) # mass absorption coefficient for Fe at 10 keV- Whether the SQLite database is downloaded automatically on first use or requires manual setup.
- Performance characteristics for large-scale queries or real-time applications.
- Completeness and accuracy of anomalous scattering factors relative to published literature.
What it is and what it does
XrayDB is a Python library that wraps a SQLite database of X-ray reference data—absorption coefficients, scattering factors, fluorescence yields, and other physical properties—compiled from sources including the Elam Tables and refined anomalous scattering data. It lets you query X-ray properties of elements and compounds programmatically, supporting calculations in X-ray spectroscopy, diffraction, and absorption studies.
The package depends on numpy, scipy, sqlalchemy, and platformdirs, making it a lightweight addition to a scientific Python stack. It targets researchers and engineers working in materials science, synchrotron beamline software, and X-ray physics who need reliable reference data without building their own database.
Use it for
- Calculate mass absorption coefficients for X-ray absorption spectroscopy (XAS) data reduction.
- Look up anomalous scattering factors for X-ray crystallography structure refinement.
- Query fluorescence yields and line energies for X-ray fluorescence (XRF) analysis.
- Build element-property tables for synchrotron beamline control and data processing software.
- Validate X-ray interaction models in simulation and modeling workflows.
Worth the install?
AI-flagged interpretation of the facts on this page. Verify before relying on it.
Yes.
XrayDB is production-stable, actively maintained, carries no known vulnerabilities, and installs with low friction. If you work with X-ray data or need reliable reference properties for X-ray physics calculations, it is a solid choice. The MIT license and Public Domain data pose no restrictions.
Install
xraydb on PyPI
Before you install
Low friction installation with a pure-Python wheel. Maintenance is active with recent commits and stable production status across modern Python versions (3.9–3.13, including PyPy).
License in practice
MIT license is permissive; you can use, modify, and distribute the package with minimal restrictions. The underlying data is in the Public Domain.
Quickstart
pip install xraydb
import xraydb
db = xraydb.XrayDB()
mu = db.mu_chantler('Fe', 10.0) # mass absorption coefficient for Fe at 10 keVVerify before relying
- Whether the SQLite database is downloaded automatically on first use or requires manual setup.
- Performance characteristics for large-scale queries or real-time applications.
- Completeness and accuracy of anomalous scattering factors relative to published literature.
Package facts
| License | MIT permissive |
| Python support | Supports the current Python release >=3.9 |
| Install friction | Low. Pure-Python wheel |
| Runtime dependencies | 4 packagesnumpyscipysqlalchemyplatformdirs |
| Maintenance | Actively maintained 392 days since the last release |
| Last repo commit | |
| First released | |
| Downloads | 73,728 / month, #14,941 on PyPI 30-day window, as of 2026-08-14 |
| Known vulnerabilities | None known OSV.dev, checked 2026-08-14 |
| Classifiers | Development Status :: 5 - Production/StableIntended Audience :: DevelopersOperating System :: OS IndependentProgramming Language :: Python :: 3.10Programming Language :: Python :: 3.11Programming Language :: Python :: 3.12Programming Language :: Python :: 3.13Programming Language :: Python :: 3.9Programming Language :: Python :: Implementation :: PyPy |
Evidence: xraydb-4.5.8-py3-none-any.whl
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