update docs for 4.5.1

_sources/dbschema.rst.txt

@@ -10,8 +10,8 @@ Linux) can be as simple as::
    system~> sqlite3 xraydb.sqlite
    sqlite> .headers on
    sqlite> select * from elements where atomic_number=47;
-   atomic_number|element|molar_mass|density
-   47|Ag|107.868|10.48
+   atomic_number|element|name|molar_mass|density
+   47|Ag|silver|107.868|10.48
 
 
 That is, you can retrieve the data using standard SQL queries built-in to
@@ -33,6 +33,7 @@ looks like this::
                    notes text);
     Table elements (atomic_number integer primary key,
                     element text,
+                    name text,
                     molar_mass real,
                     density real);
     Table xray_levels (id integer primary key,
@@ -160,6 +161,8 @@ represents an element.
     +----------------------+--------------+---------------------------------------+
     |  element             | text         | Atomic symbol                         |
     +----------------------+--------------+---------------------------------------+
+    |  name                | text         | English name of element               |
+    +----------------------+--------------+---------------------------------------+
     |  molar_mass          |  float       | Atomic mass in AMU                    |
     +----------------------+--------------+---------------------------------------+
     |  density             |  float       | Density of pure element (gr/cm^3)     |
@@ -424,6 +427,34 @@ energy level for an element.
     +-------------------------------+--------------+---------------------------------------+
 
 
+Compton Energies  Table
+------------------------------
+
+The `Compton_energies` table holds data for median (90 deg scattering) and mean
+values of the energies of Compton scattered X-rays, and the mean values of the
+Compton-scattered electrons as a function of incident X-ray energy.  There is
+only 1 row in this table, with all columns being json-encoded arrays of floats.
+These values should be finely-speced enough for linear interpolation
+
+
+.. index:: DB Table of Compton Energies
+.. _db_compton_table:
+
+   DB Table of Compton-scattered energies.
+
+    +---------------------------+--------------+---------------------------------------+
+    |  Column                   |  Type        | Description                           |
+    +===========================+==============+=======================================+
+    |  incident                 | json_array   | Incident X-ray energies (eV)          |
+    +---------------------------+--------------+---------------------------------------+
+    |  xray_90deg               | json_array   | Median scattered X-ray energies (eV)  |
+    +---------------------------+--------------+---------------------------------------+
+    |  xray_mean                | json_array   | Mean scattered X-ray energies (eV)    |
+    +---------------------------+--------------+---------------------------------------+
+    |  electron_mean            | json_array   | Mean scattered electron energies (eV) |
+    +---------------------------+--------------+---------------------------------------+
+
+
 
 .. _db_chantler_sect:
 

_sources/index.rst.txt

@@ -34,7 +34,7 @@ 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 is **8.1**, and the version of the Python
+The current version of the XrayDB is **9.1**, and the version of the Python
 module is |release|.   See Also:
 
    * `XrayDB Web App (CARS, U Chicago)`_ and `XrayDB Web App
@@ -48,7 +48,7 @@ module is |release|.   See Also:
 
    * `PDF Version of this documentation`_
 
-     
+
 Table of Contents
 -----------------------
 

_sources/installation.rst.txt

@@ -15,10 +15,6 @@ If you want to use XrayDB from Python, install the XrayDB Python module
 
    pip install xraydb
 
-If you are using Anaconda Python, you can also install with::
-
-   conda install -c gsecars xraydb
-
 Depending on your system and Python installation, you may need
 administrative privileges to install any python library.  For many linux
 and Mac OS X systems, you may need to use `sudo`.

_sources/python.rst.txt

@@ -78,6 +78,7 @@ using it:
       :func:`atomic_number`                   atomic number from symbol
       :func:`atomic_symbol`                   atomic symbol from number
       :func:`atomic_mass`                     atomic mass
+      :func:`atomic_name`                     atomic name (English)
       :func:`atomic_density`                  density of pure element
       :func:`f0`                              elastic scattering factor (:cite:`Waasmaier_Kirfel`)
       :func:`f0_ions`                         list of valid "ions" for :func:`f0`  (:cite:`Waasmaier_Kirfel`)
@@ -122,6 +123,8 @@ Atomic Properties
 
 .. autofunction:: atomic_mass
 
+.. autofunction:: atomic_name
+
 .. autofunction:: atomic_density
 
 Elastic Scattering Factors

_static/basic.css

@@ -4,7 +4,7 @@
  *
  * Sphinx stylesheet -- basic theme.
  *
- * :copyright: Copyright 2007-2022 by the Sphinx team, see AUTHORS.
+ * :copyright: Copyright 2007-2023 by the Sphinx team, see AUTHORS.
  * :license: BSD, see LICENSE for details.
  *
  */
@@ -324,13 +324,15 @@ aside.sidebar {
 p.sidebar-title {
     font-weight: bold;
 }
+
 nav.contents,
 aside.topic,
 div.admonition, div.topic, blockquote {
     clear: left;
 }
 
 /* -- topics ---------------------------------------------------------------- */
+
 nav.contents,
 aside.topic,
 div.topic {
@@ -606,6 +608,7 @@ ol.simple p,
 ul.simple p {
     margin-bottom: 0;
 }
+
 aside.footnote > span,
 div.citation > span {
     float: left;

_static/doctools.js

@@ -4,7 +4,7 @@
  *
  * Base JavaScript utilities for all Sphinx HTML documentation.
  *
- * :copyright: Copyright 2007-2022 by the Sphinx team, see AUTHORS.
+ * :copyright: Copyright 2007-2023 by the Sphinx team, see AUTHORS.
  * :license: BSD, see LICENSE for details.
  *
  */

_static/documentation_options.js

@@ -1,6 +1,6 @@
 var DOCUMENTATION_OPTIONS = {
     URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
-    VERSION: '4.5.0',
+    VERSION: '4.5.1',
     LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',

_static/language_data.js

@@ -5,7 +5,7 @@
  * This script contains the language-specific data used by searchtools.js,
  * namely the list of stopwords, stemmer, scorer and splitter.
  *
- * :copyright: Copyright 2007-2022 by the Sphinx team, see AUTHORS.
+ * :copyright: Copyright 2007-2023 by the Sphinx team, see AUTHORS.
  * :license: BSD, see LICENSE for details.
  *
  */

_static/nature.css

@@ -4,7 +4,7 @@
  *
  * Sphinx stylesheet -- nature theme.
  *
- * :copyright: Copyright 2007-2022 by the Sphinx team, see AUTHORS.
+ * :copyright: Copyright 2007-2023 by the Sphinx team, see AUTHORS.
  * :license: BSD, see LICENSE for details.
  *
  */
@@ -193,9 +193,9 @@ div.seealso {
     background-color: #ffc;
     border: 1px solid #ff6;
 }
+
 nav.contents,
 aside.topic,
-
 div.topic {
     background-color: #eee;
 }

_static/searchtools.js

@@ -4,7 +4,7 @@
  *
  * Sphinx JavaScript utilities for the full-text search.
  *
- * :copyright: Copyright 2007-2022 by the Sphinx team, see AUTHORS.
+ * :copyright: Copyright 2007-2023 by the Sphinx team, see AUTHORS.
  * :license: BSD, see LICENSE for details.
  *
  */

biblio.html

@@ -1,18 +1,14 @@
-
 <!DOCTYPE html>
 
 <html lang="en">
   <head>
     <meta charset="utf-8" />
-    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="generator" content="Docutils 0.19: https://docutils.sourceforge.io/" />
+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="generator" content="Docutils 0.18.1: http://docutils.sourceforge.net/" />
 
     <title>References &#8212; X-ray DB:  X-ray Reference Data in SQLite</title>
     <link rel="stylesheet" type="text/css" href="_static/pygments.css" />
     <link rel="stylesheet" type="text/css" href="_static/nature.css" />
     <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js"></script>
-    <script src="_static/jquery.js"></script>
-    <script src="_static/underscore.js"></script>
-    <script src="_static/_sphinx_javascript_frameworks_compat.js"></script>
     <script src="_static/doctools.js"></script>
     <script src="_static/sphinx_highlight.js"></script>
     <link rel="index" title="Index" href="genindex.html" />
@@ -135,8 +131,8 @@ <h3>Navigation</h3>
     </div>
     <div class="footer" role="contentinfo">
         &#169; Copyright Public Domain.
-      Last updated on 2023-January-26.
-      Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 5.3.0.
+      Last updated on 2023-August-03.
+      Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.0.1.
     </div>
   </body>
 </html>

dbschema.html

@@ -1,18 +1,14 @@
-
 <!DOCTYPE html>
 
 <html lang="en">
   <head>
     <meta charset="utf-8" />
-    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="generator" content="Docutils 0.19: https://docutils.sourceforge.io/" />
+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="generator" content="Docutils 0.18.1: http://docutils.sourceforge.net/" />
 
     <title>Using the XrayDB xraydb.sqlite &#8212; X-ray DB:  X-ray Reference Data in SQLite</title>
     <link rel="stylesheet" type="text/css" href="_static/pygments.css" />
     <link rel="stylesheet" type="text/css" href="_static/nature.css" />
     <script data-url_root="./" id="documentation_options" src="_static/documentation_options.js"></script>
-    <script src="_static/jquery.js"></script>
-    <script src="_static/underscore.js"></script>
-    <script src="_static/_sphinx_javascript_frameworks_compat.js"></script>
     <script src="_static/doctools.js"></script>
     <script src="_static/sphinx_highlight.js"></script>
     <script async="async" src="https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-mml-chtml.js"></script>
@@ -56,8 +52,8 @@ <h1>Using the XrayDB  xraydb.sqlite<a class="headerlink" href="#using-the-xraydb
 <div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">system</span><span class="o">~&gt;</span> <span class="n">sqlite3</span> <span class="n">xraydb</span><span class="o">.</span><span class="n">sqlite</span>
 <span class="n">sqlite</span><span class="o">&gt;</span> <span class="o">.</span><span class="n">headers</span> <span class="n">on</span>
 <span class="n">sqlite</span><span class="o">&gt;</span> <span class="n">select</span> <span class="o">*</span> <span class="kn">from</span> <span class="nn">elements</span> <span class="n">where</span> <span class="n">atomic_number</span><span class="o">=</span><span class="mi">47</span><span class="p">;</span>
-<span class="n">atomic_number</span><span class="o">|</span><span class="n">element</span><span class="o">|</span><span class="n">molar_mass</span><span class="o">|</span><span class="n">density</span>
-<span class="mi">47</span><span class="o">|</span><span class="n">Ag</span><span class="o">|</span><span class="mf">107.868</span><span class="o">|</span><span class="mf">10.48</span>
+<span class="n">atomic_number</span><span class="o">|</span><span class="n">element</span><span class="o">|</span><span class="n">name</span><span class="o">|</span><span class="n">molar_mass</span><span class="o">|</span><span class="n">density</span>
+<span class="mi">47</span><span class="o">|</span><span class="n">Ag</span><span class="o">|</span><span class="n">silver</span><span class="o">|</span><span class="mf">107.868</span><span class="o">|</span><span class="mf">10.48</span>
 </pre></div>
 </div>
 <p>That is, you can retrieve the data using standard SQL queries built-in to
@@ -75,6 +71,7 @@ <h2>Overall Database Schema<a class="headerlink" href="#overall-database-schema"
                <span class="n">notes</span> <span class="n">text</span><span class="p">);</span>
 <span class="n">Table</span> <span class="n">elements</span> <span class="p">(</span><span class="n">atomic_number</span> <span class="n">integer</span> <span class="n">primary</span> <span class="n">key</span><span class="p">,</span>
                 <span class="n">element</span> <span class="n">text</span><span class="p">,</span>
+                <span class="n">name</span> <span class="n">text</span><span class="p">,</span>
                 <span class="n">molar_mass</span> <span class="n">real</span><span class="p">,</span>
                 <span class="n">density</span> <span class="n">real</span><span class="p">);</span>
 <span class="n">Table</span> <span class="n">xray_levels</span> <span class="p">(</span><span class="nb">id</span> <span class="n">integer</span> <span class="n">primary</span> <span class="n">key</span><span class="p">,</span>
@@ -213,11 +210,15 @@ <h2>Overall Database Schema<a class="headerlink" href="#overall-database-schema"
 <td><p>text</p></td>
 <td><p>Atomic symbol</p></td>
 </tr>
-<tr class="row-even"><td><p>molar_mass</p></td>
+<tr class="row-even"><td><p>name</p></td>
+<td><p>text</p></td>
+<td><p>English name of element</p></td>
+</tr>
+<tr class="row-odd"><td><p>molar_mass</p></td>
 <td><p>float</p></td>
 <td><p>Atomic mass in AMU</p></td>
 </tr>
-<tr class="row-odd"><td><p>density</p></td>
+<tr class="row-even"><td><p>density</p></td>
 <td><p>float</p></td>
 <td><p>Density of pure element (gr/cm^3)</p></td>
 </tr>
@@ -604,6 +605,45 @@ <h2>Krause_Oliver Table<a class="headerlink" href="#krause-oliver-table" title="
 </div></blockquote>
 </div></blockquote>
 </section>
+<section id="compton-energies-table">
+<h2>Compton Energies  Table<a class="headerlink" href="#compton-energies-table" title="Permalink to this heading">¶</a></h2>
+<p>The <cite>Compton_energies</cite> table holds data for median (90 deg scattering) and mean
+values of the energies of Compton scattered X-rays, and the mean values of the
+Compton-scattered electrons as a function of incident X-ray energy.  There is
+only 1 row in this table, with all columns being json-encoded arrays of floats.
+These values should be finely-speced enough for linear interpolation</p>
+<blockquote id="db-compton-table">
+<span id="index-10"></span><div><p>DB Table of Compton-scattered energies.</p>
+<blockquote>
+<div><table class="docutils align-default">
+<thead>
+<tr class="row-odd"><th class="head"><p>Column</p></th>
+<th class="head"><p>Type</p></th>
+<th class="head"><p>Description</p></th>
+</tr>
+</thead>
+<tbody>
+<tr class="row-even"><td><p>incident</p></td>
+<td><p>json_array</p></td>
+<td><p>Incident X-ray energies (eV)</p></td>
+</tr>
+<tr class="row-odd"><td><p>xray_90deg</p></td>
+<td><p>json_array</p></td>
+<td><p>Median scattered X-ray energies (eV)</p></td>
+</tr>
+<tr class="row-even"><td><p>xray_mean</p></td>
+<td><p>json_array</p></td>
+<td><p>Mean scattered X-ray energies (eV)</p></td>
+</tr>
+<tr class="row-odd"><td><p>electron_mean</p></td>
+<td><p>json_array</p></td>
+<td><p>Mean scattered electron energies (eV)</p></td>
+</tr>
+</tbody>
+</table>
+</div></blockquote>
+</div></blockquote>
+</section>
 <section id="chantler-table">
 <span id="db-chantler-sect"></span><h2>Chantler Table<a class="headerlink" href="#chantler-table" title="Permalink to this heading">¶</a></h2>
 <p>The <cite>Chantler</cite> table holds data for resonant X-ray scattering factors
@@ -612,7 +652,7 @@ <h2>Krause_Oliver Table<a class="headerlink" href="#krause-oliver-table" title="
 with other tables, scattering factors are unitless, and cross sections are
 in cm^2/gr. Each row represents an element.</p>
 <blockquote id="db-chantler-table">
-<span id="index-10"></span><div><p>DB Table of resonant scattering and mass attenuation coefficients from Chantler.</p>
+<span id="index-11"></span><div><p>DB Table of resonant scattering and mass attenuation coefficients from Chantler.</p>
 <blockquote>
 <div><table class="docutils align-default">
 <thead>
@@ -703,6 +743,7 @@ <h3><a href="index.html">Table of Contents</a></h3>
 <li><a class="reference internal" href="#waasmaier-table">Waasmaier Table</a></li>
 <li><a class="reference internal" href="#keskirahkonen-krause-table">KeskiRahkonen_Krause Table</a></li>
 <li><a class="reference internal" href="#krause-oliver-table">Krause_Oliver Table</a></li>
+<li><a class="reference internal" href="#compton-energies-table">Compton Energies  Table</a></li>
 <li><a class="reference internal" href="#chantler-table">Chantler Table</a></li>
 </ul>
 </li>
@@ -761,8 +802,8 @@ <h3>Navigation</h3>
     </div>
     <div class="footer" role="contentinfo">
         &#169; Copyright Public Domain.
-      Last updated on 2023-January-26.
-      Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 5.3.0.
+      Last updated on 2023-August-03.
+      Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> 7.0.1.
     </div>
   </body>
 </html>