---
id: xraydb
version: "4.5.8"
license: MIT
license_treatment: permissive
maintenance: active
---

# xraydb — calculations with XrayDB: reference data for X-ray interactions with matter

License: permissive · Maintenance: active · Downloads: 73.7K/mo

## 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 above — verify before relying.

XrayDB provides a Python interface to a SQLite database of X-ray reference data, enabling calculations and lookups of X-ray interactions with matter for physics and materials science applications.

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

pip install xraydb
uv add xraydb
poetry add xraydb

## Installing xraydb

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 keV

Verify 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_current
- Install friction: low
- Maintenance: active
- Downloads: 73.7K/month (top 15,000 on PyPI)
- Known vulnerabilities: none known

## Tags

x-ray reference data, x-ray absorption calculations, x-ray scattering factors, x-ray physics database, anomalous scattering data, x-ray element properties, x-ray matter interactions, x-ray-physics, reference-data, materials-science

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