.. _Databases:

Databases
=========

Databases for X-ray Absorption and XAFS measurements
----------------------------------------------------

For X-ray properties of the elements, including absorption cross-sections,
tools for calculating absorption lengths, mirror reflectivities,
monochromator Darwin widths and more, see

`X-ray Data for the Elements <https://xraydb.xrayabsorption.org>`_

Other databases of X-ray absorption and scattering properties of the
elements are at

* `X-ray Absorption Cross-Section and Absorption Coefficient
  Calculations Periodic Table of x-ray absorption values (aka The
  McMaster Tables).
  <http://ixs.csrri.iit.edu/database/programs/mcmaster.html>`_

* `X-ray Interaction with Matter at LBL Center for X-ray Optics
  <http://www.cxro.lbl.gov/>`_

* `Henke Atomic Scattering Factors emphasizing lower energies.
  <http://henke.lbl.gov/optical_constants/asf.html>`_

* `X-ray Mass Attenuation Coefficients at NIST
  <https://www.nist.gov/pml/x-ray-mass-attenuation-coefficients>`_

* `XOP X-ray Oriented Programs
  <http://www.esrf.eu/Instrumentation/software/data-analysis/xop2.4>`_

* `X-ray Data Booklet (The Orange Book) <https://xdb.lbl.gov/>`_  You **need** this book.

* Various periodic tables of X-ray energies

  * https://xdb.lbl.gov/Section1/Periodic_Table/X-ray_Elements.html
  * http://csrri.iit.edu/periodic-table.html
  * http://skuld.bmsc.washington.edu/scatter/AS_periodic.html

.. Book of x-ray absorption values (based on McMaster Tables).


.. This says "Last modified: August 21, 1999
   Databases
   Publications
   Database of publications on x-ray absorption spectroscopy, compiled by Alexander Lebedev

Periodic Table of X-ray Absorption and Emission Energies
--------------------------------------------------------

Poster-sized Periodic Table of X-ray Absorption Edge energies and X-ray
emission line energies are available at
https://xrayabsorption.org/xraytable.  These display the energies of the
hard X-ray absorption edges (K, L1, L2, L3, M5) and the main K, L, and M
emission lines, as well as the electronic configuration and most common
oxidation states for each element.

The table is generated using X-ray data from W. T. Elam, B. D. Ravel
and J. R. Sieber, Radiation Physics and Chemistry **63** (2),
pp. 121–128 (2002) (`DOI:10.1016/S0969-806X(01)00227-4
<http://dx.doi.org/10.1016/S0969-806X(01)00227-4>`__). The code used
to generate this Poster is freely available as part of the `XrayDB
<https://github.com/xraypy/XrayDB/>`__ python module and database.





Crystallography
---------------

* `Crystallography Open Database
  <https://www.crystallography.net/cod/>`_ : CIF files of inorganic
  and small organic crystals in the public domain

..
  Atoms.inp Archive, a database of crystallographic data, ready to be converted to input files for FEFF, hosted at CARS
  The Ifeffit FAQ has a list of additional crystallography resources.

Reference data
--------------

* `XAFS Data Library <https://xaslib.xrayabsorption.org>`_, based on code
  at `XASDataLibrary <https://github.com/XraySpectroscopy/XASDataLibrary>`_ : A framework
  for a simple flask and SQLite based data library.

* `NIMS Material Data Repository <https://mdr.nims.go.jp>`_ contains a very
  large collection of XAFS spectra.

* `The Farrel Lytle Database at IIT
  <http://ixs.iit.edu/database/data/Farrel_Lytle_data/>`_.  Note:
  This is a
  "database" in the loosest possible sense of the term.

  .. todo:: Converting Lytle data to a usable form is a non-trivial
     problem.  Perhaps point to some examples of how to do so.

.. A small but handy database of standards from NSLS beamline X18b

Multiple Electron Excitations
-----------------------------

* `MPE Overview from Iztok Arčon, University of Nova Gorica, Jozef
  Stefan Institute, Slovenia
  <http://sabotin.ung.si/~arcon/xas/mpe/mpe.htm>`_