X-ray DB: X-ray Reference Data in SQLite

XrayDB provides Atomic data, characteristic X-ray energies, and X-ray cross sections for the elements in an SQLite3 database, xraydb.sqlite. This file can be used directly with SQLite using standard SQL, or or with any of several programming language that has an SQLite library. See http://sqlite.org for further details on SQLite. A Python module providing an interface is also provided.

Because some of the components of the database hold arrays of numbers (for example, coefficients for interpolation), the arrays are stored in the database as JSON-encoded strings, and will need to be unpacked to be used. For reference, see http://json.org.

The project began with the data from the compilation of basic atomic properties and X-ray absorption edge energies, emission energies, and absorption cross sections from Elam et al. , who assembled data from a several sources. More data has since been added additional sources. Energy widths of core holes for excited electronic levels from Keski-Rahkonen and Krause is included. Elastic X-ray scattering data, \(f_0(q)\) is taken from Waasmaier and Kirfel . Resonant scattering cross sections \(f'(E)\) and \(f''(E)\) and absorption cross sections from Chantler (as from http://www.nist.gov/pml/data/ffast/index.cfm) are also included.

In general, cross sections are in cm^2/gr, and energies are given in eV. Energy-dependent data for cross sections is typically valid in the range from about 250 eV to about 200,000 eV.

• Installation
  • Python
• Overview of Atomic and X-ray Data
  • Elements
  • X-ray Edges
  • X-ray Lines
  • Energies
  • Cross Sections
• Using the XrayDB xraydb.sqlite
  • Overall Database Schema
  • Version Table
  • Elements Table
  • Xray_Levels Table
  • Xray_Transitions Table
  • Photoabsorption Table
  • Scattering Table
  • Coster_Kronig Table
  • Waasmaier Table
  • KeskiRahkonen_Krause Table
  • Chantler Table
• Using XrayDB from Python
  • XrayDB module