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community.html

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<section id="community">
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<h1>Community<a class="headerlink" href="#community" title="Link to this heading"></a></h1>
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<p>To ensure a bright future for the DiffPy project it is essential to build a strong community
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of users and contributing developers. There are several Google groups for support and
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development of DiffPy and related applications.</p>
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<ul>
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<li><p><a class="reference external" href="https://groups.google.com/d/forum/diffpy-users">diffpy-users</a> Help on usage of DiffPy-CMI,
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PDFgetX3, PDFgetN3, PDFgetS3,
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PDFgui, and other DiffPy components. This group is a knowledge base for PDFgui
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user tips, tricks and troubleshooting. Feel free to search for answers or ask your question here.</p>
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<blockquote>
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<div><form action="http://groups.google.com/group/diffpy-users/boxsubscribe">
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<input type="submit" name="sub" value="Subscribe">
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</form></div></blockquote>
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</li>
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</ul>
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<p>You can also share your comments, suggestions, praise or complaints by sending email to
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of users and contributing developers. News about updates and new releases will be made at the
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<a class="reference external" href="https://groups.google.com/d/forum/diffpy-users">diffpy-users</a> Google group,
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as well as it being a place to ask questions
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and find answers about using all diffpy programs.
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When you sign up,
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please leave a short message about why you are requesting to join as we have had spam accounts requesting access
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and so we want to know you are a legitimate user.</p>
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<form action="http://groups.google.com/group/diffpy-users/boxsubscribe">
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<input type="submit" name="sub" value="Subscribe">
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</form><p>You can also share your comments, suggestions, praise or complaints by sending email to
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<a class="reference external" href="mailto:sb2896&#37;&#52;&#48;columbia&#46;edu">Simon J<span>&#46;</span> L<span>&#46;</span> Billinge</a>.</p>
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<p>To report or browse bugs, please visit <a class="reference external" href="https://github.com/diffpy">https://github.com/diffpy</a>
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and continue to the relevant project and its Issues.</p>

products/pdfgui.html

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capable of full-profile fitting of the atomic pair distribution function (PDF)
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derived from x-ray or neutron diffraction data
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and comes with built in graphical and structure visualization capabilities.</p>
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<p>PDFgui is also included in <a class="reference internal" href="xPDFsuite.html"><span class="doc">xPDFsuite</span></a>,
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a powerful end-to-end software for X-ray PDF analysis.
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xPDFsuite is designed for flexible,
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high throughput PDF analyses and contains many features for interrogating, comparing and
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modeling data as well as simply doing data reduction.</p>
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<figure class="align-center" id="id1">
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<img alt="../_images/PDFgui_screenshot_small.png" src="../_images/PDFgui_screenshot_small.png" />
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<figcaption>
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<section id="installation">
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<h2>Installation<a class="headerlink" href="#installation" title="Link to this heading"></a></h2>
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<p>By downloading and using this software you are agreeing to the
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conditions specified in the <a class="reference internal" href="pdfguilicense.html"><span class="doc">software license</span></a>.</p>
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conditions specified in the <a class="reference external" href="https://github.com/diffpy/diffpy.pdfgui/blob/main/LICENSE.rst">software license</a>.</p>
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<p>PDFgui is distributed as a software package for
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<a class="reference external" href="https://www.anaconda.com">Anaconda Python</a>. PDFgui is available
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for all operating systems supported by Anaconda, namely for
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Linux, Mac OS X, and Windows.</p>
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<p>As a prerequisite for PDFgui installation, download and install
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<strong>Miniconda</strong> (<a class="reference external" href="https://docs.conda.io/en/latest/miniconda.html#latest-miniconda-installer-links">https://docs.conda.io/en/latest/miniconda.html#latest-miniconda-installer-links</a>)
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or Anaconda Python (<a class="reference external" href="https://www.anaconda.com/download">https://www.anaconda.com/download</a>).</p>
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<p>PDFgui is available from the “conda-forge” channel of Anaconda packages.
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To do so open a <em>Terminal</em> window or <em>Anaconda Command Prompt</em> and use
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<p>PDFgui is available from the “conda-forge” channel of Anaconda packages.</p>
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<p>To install it, first open a <em>Terminal</em> window or <em>Anaconda Command Prompt</em> and use
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the <strong class="program">conda</strong> command as follows</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>conda<span class="w"> </span>create<span class="w"> </span>--name<span class="o">=</span>pdfgui2<span class="w"> </span><span class="nv">python</span><span class="o">=</span><span class="m">3</span>.9
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conda<span class="w"> </span>activate<span class="w"> </span>pdfgui2
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conda<span class="w"> </span>install<span class="w"> </span>-c<span class="w"> </span>conda-forge<span class="w"> </span>diffpy.pdfgui
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>conda<span class="w"> </span>create<span class="w"> </span>--name<span class="o">=</span>pdfgui_env<span class="w"> </span>--channel<span class="w"> </span>conda-forge<span class="w"> </span>diffpy.pdfgui
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</pre></div>
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</div>
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<p>PDFgui can be then started from a <em>Terminal</em> window or <em>Anaconda Command Prompt</em> by typing</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>pdfgui
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<p>To use PDFgui you then have to activate this conda environment and type pdfgui.</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>conda<span class="w"> </span>activate<span class="w"> </span>pdfgui_env
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pdfgui
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</pre></div>
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</div>
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<p>The PDFgui window will appear automatically. An alternative method on Windows is to start
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<p>After a brief pause he PDFgui window will appear automatically. An alternative method on Windows is to start
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PDFgui through the <em>Diffpy</em> start menu.</p>
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<div class="admonition note">
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<p class="admonition-title">Note</p>
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<p>To start PDFgui from a Terminal make sure <em>pdfgui2</em> is
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<p>To start PDFgui from a Terminal make sure <em>pdfgui_env</em> is
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the active Anaconda environment:</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>conda<span class="w"> </span>activate<span class="w"> </span>pdfgui2
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>conda<span class="w"> </span>activate<span class="w"> </span>pdfgui_env
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</pre></div>
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</div>
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<p>Alternatively you can add the following line to your shell startup
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<p>Alternatively, on bash terminals you can add the following line to your shell startup
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file <code class="file docutils literal notranslate"><span class="pre">.bashrc</span></code> to define an alias which will work in
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any Anaconda environment</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span><span class="nb">alias</span><span class="w"> </span><span class="nv">pdfgui</span><span class="o">=</span><span class="s2">&quot;/path/to/pdfgui2/bin/pdfgui&quot;</span>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span><span class="nb">alias</span><span class="w"> </span><span class="nv">pdfgui</span><span class="o">=</span><span class="s2">&quot;/path/to/pdfgui_env/bin/pdfgui&quot;</span>
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</pre></div>
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</div>
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<p>where <code class="docutils literal notranslate"><span class="pre">/path/to</span></code> needs to be adjusted according to the output of
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<code class="docutils literal notranslate"><span class="pre">which</span> <span class="pre">pdfgui</span></code> command.</p>
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</div>
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</section>
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<section id="pdfgui-updates">
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<h2>PDFgui updates<a class="headerlink" href="#pdfgui-updates" title="Link to this heading"></a></h2>
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<p>The Anaconda package system makes it easy to prepare and distribute
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software updates and bugfixes. To update to the latest version of
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PDFgui use</p>
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<div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>conda<span class="w"> </span>update<span class="w"> </span>-c<span class="w"> </span>conda-forge<span class="w"> </span>diffpy.pdfgui
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</pre></div>
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</div>
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<p>To use a bleeding edge development version, visit the project source
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repository at <a class="reference external" href="https://github.com/diffpy/diffpy.pdfgui">https://github.com/diffpy/diffpy.pdfgui</a> and consult
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its README file.</p>
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<p>Please consider joining the <a class="reference external" href="https://www.diffpy.org/community.html">diffpy-users</a> Google group.
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News about updates and new releases will be made there, as well as it being a place to ask questions
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and find answers about using all diffpy programs.
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When you sign up,
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please leave a short message about why you are requesting to join as we have had spam accounts requesting access
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and so we want to know you are a legitimate user.</p>
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</section>
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<section id="other-versions">
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<h2>Other versions<a class="headerlink" href="#other-versions" title="Link to this heading"></a></h2>

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