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some doc updates
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newville committed Nov 5, 2023
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47 changes: 25 additions & 22 deletions doc/index.rst
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Expand Up @@ -10,33 +10,25 @@ X-ray DB: X-ray Reference Data in SQLite
.. _XrayDB Web App (CARS, U Chicago): https://millenia.cars.aps.anl.gov/xraydb

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 :cite:`sqlite` using standard SQL, or
from the many programming language that support SQLite. Some of the
components of the database hold arrays of numbers which are stored in the
database as JSON-encoded strings, and will need to be unpacked to be used.
sections for the elements in an SQLite3 database, ``xraydb.sqlite``. This file
can be used directly with SQLite :cite:`sqlite` or from the many programming
language that have interfaces to SQLite. Some of the components of the
database hold arrays of numbers, which are stored as JSON-encoded strings, and
will need to be decoded from JSON to be used.

A Python module providing an interface to this database is also provided here.

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 :cite:`Elam_Ravel_Sieber`, who assembled
data from a several sources. More data has been added from other sources.
Energy widths of core holes for excited electronic levels from
:cite:`Keski_Krause` and :cite:`Krause_Oliver`. Elastic X-ray scattering
data, :math:`f_0(q)` is taken from :cite:`Waasmaier_Kirfel`. Resonant
scattering cross sections :math:`f'(E)` and :math:`f''(E)` and absorption
cross sections from :cite:`Chantler` as from the `FFAST webpage`_ (but on
a finer energy grid, data from :cite:`Chantler2016`) are also included.
The current version of the XrayDB database is **9.1**, and the
Python module is version |release|.

Values in XrayDB use the most common SI units for X-ray work: Cross sections
are in cm^2/gr, and energies are in eV. Energy-dependent data for
cross-sections are typically most reliable between about 250 eV to about
250,000 eV. Elements from Z=1 to 92 are supported, with some data are included
for elements between Z=93 and Z=98.

The values here use units that are SI and commonly used in X-ray work.
Cross sections are in cm^2/gr, and energies are in eV. Energy-dependent
data for cross-sections are typically most reliable between about 250 eV to
about 250,000 eV. Elements from Z=1 to 92 are supported, with some data
are included for elements between Z=93 and Z=98.

The current version of the XrayDB database is **9.1**, and the version of the
Python module is |release|. A few useful resources using this library include:
Some useful resources using this library include:

* `XrayDB Web App (xrayabsorption.org)`_ is an interactive web applications
to browse the data in this database and make plots of X-ray attenuation,
Expand All @@ -49,6 +41,17 @@ Python module is |release|. A few useful resources using this library include:

* `PDF Version of this documentation`_

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 :cite:`Elam_Ravel_Sieber`, who assembled
data from a several sources. More data has been added from other sources.
Energy widths of core holes for excited electronic levels from
:cite:`Keski_Krause` and :cite:`Krause_Oliver`. Elastic X-ray scattering
data, :math:`f_0(q)` is taken from :cite:`Waasmaier_Kirfel`. Resonant
scattering cross sections :math:`f'(E)` and :math:`f''(E)` and absorption
cross sections from :cite:`Chantler` as from the `FFAST webpage`_ (but on
a finer energy grid, data from :cite:`Chantler2016`) are also included.


Table of Contents
-----------------------
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2 changes: 1 addition & 1 deletion doc/periodictable.rst
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Expand Up @@ -18,7 +18,7 @@ X-ray Periodic Table of the Elements
.. _Henry Moseley: https://en.wikipedia.org/wiki/Henry_Moseley


XrayDB has been used to generate X-ray Periodic Tables of the Elements.
XrayDB has been used to generate X-ray Periodic Tables of the Elements. This uses

There is a choice of two sizes, and a choice of an image of one of four
prominent scientists associated with the Periodic Table and X-ray
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14 changes: 8 additions & 6 deletions poster/README
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Expand Up @@ -12,17 +12,19 @@ Building the Xray Periodic Table
To generate the PDF, use:
make

To generate without GSECARS QR code, use
To generate without the QR code pointing to GSECARS, use:

cp ptable_no_gse.tex ptable.tex
make

This assumes two things:
a) latex and a reasonably modern version of the TikZ package are installed.
b) that either the atomic data has been or python, and the xraydb module
are installed. This holds the data from Elam, et al. The gen_atoms.py
script uses this to extract the data and write out latex paragraphs
for each element into the file atoms.tex.
a) latex and a reasonably modern version of the
TikZ package are installed.
b) that either the atomic data has been generated into atoms.tex
or that Python, and the xraydb module are installed, so that
the gen_atoms.py script can be run to extract the data from
the datatbase and write out latex paragraphs for each element
into the file atoms.tex with:

python gen_atoms.py > atoms.tex

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