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publish pdfgui2
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‎.buildinfo‎

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# Sphinx build info version 1
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# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
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config: 19a9680bc4f5d20726dfe9102b5bec7a
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config: 5657174eec71df88fdb2768b79ff577e
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tags: 645f666f9bcd5a90fca523b33c5a78b7

‎NSFnugget.html‎

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<!DOCTYPE html>
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<html>
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<html lang="en">
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<head>
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<meta charset="utf-8" />
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<meta name="viewport" content="width=device-width, initial-scale=1.0" />
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<meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="generator" content="Docutils 0.19: https://docutils.sourceforge.io/" />
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<title>Enabling new science in nanoscale structure characterization of complex materials &#8212; DiffPy documentation</title>
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<link rel="stylesheet" type="text/css" href="_static/pygments.css" />
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<link rel="stylesheet" type="text/css" href="_static/bootstrap-sphinx.css" />
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<script data-url_root="./" id="documentation_options" src="_static/documentation_options.js"></script>
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<script src="_static/jquery.js"></script>
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<script src="_static/underscore.js"></script>
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<script src="_static/_sphinx_javascript_frameworks_compat.js"></script>
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<script src="_static/doctools.js"></script>
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<script src="_static/sphinx_highlight.js"></script>
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<link rel="shortcut icon" href="_static/diffpy_logo_header.ico"/>
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<link rel="search" title="Search" href="search.html" />
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<link rel="next" title="Acknowledgements" href="acknowledgements.html" />
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<div class="row">
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<div class="body col-md-12 content" role="main">
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<div class="section" id="enabling-new-science-in-nanoscale-structure-characterization-of-complex-materials">
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<h1>Enabling new science in nanoscale structure characterization of complex materials<a class="headerlink" href="#enabling-new-science-in-nanoscale-structure-characterization-of-complex-materials" title="Permalink to this headline"></a></h1>
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<section id="enabling-new-science-in-nanoscale-structure-characterization-of-complex-materials">
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<h1>Enabling new science in nanoscale structure characterization of complex materials<a class="headerlink" href="#enabling-new-science-in-nanoscale-structure-characterization-of-complex-materials" title="Permalink to this heading"></a></h1>
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<p><em>C. L. Farrow, P. Juhás, J. W. Liu, D. Bryndin, E. S. Božin, J. Bloch,
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and S. J. L. Billinge (Michigan State University)</em></p>
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<p>To understand and control the properties of materials it is necessary to have
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sub-group of the DANSE project recently released a new software tool that
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will have a large impact in nanostructure characterization using x-ray and
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neutron diffraction.</p>
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<div class="figure align-center" id="id3">
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<figure class="align-center" id="id3">
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<a class="reference internal image-reference" href="_images/PDFgui_screenshot_707.png"><img alt="_images/PDFgui_screenshot_707.png" src="_images/PDFgui_screenshot_707.png" style="width: 399.5px; height: 294.5px;" /></a>
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<p class="caption"><span class="caption-text">Screen-shot of PDFgui during a refinement of multiple data-sets</span><a class="headerlink" href="#id3" title="Permalink to this image"></a></p>
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</div>
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<figcaption>
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<p><span class="caption-text">Screen-shot of PDFgui during a refinement of multiple data-sets</span><a class="headerlink" href="#id3" title="Permalink to this image"></a></p>
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</figcaption>
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</figure>
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<p>The diffraction data are Fourier transformed to obtain the atomic pair distribution
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function (PDF) and analyzed by quantitatively fitting nanostructure models to the
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data. PDFgui allows rapid setup of individual and multiple
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refinements similar to those shown, allowing researchers to make scientific
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discoveries during data collection, at the beam-time, and not a-posteriori after
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the beamtime is over. PDFgui has numerous extensions
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that are described in more detail in <a class="footnote-reference brackets" href="#id2" id="id1">1</a>. The beta version of PDFgui
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that are described in more detail in <a class="footnote-reference brackets" href="#id2" id="id1" role="doc-noteref"><span class="fn-bracket">[</span>1<span class="fn-bracket">]</span></a>. The beta version of PDFgui
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is now in public release, available for Windows, Linux and Mac OSX platforms,
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and in the first month has been downloaded 220 times. More information can be
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found at <a class="reference external" href="https://www.diffpy.org">https://www.diffpy.org</a>.</p>
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<dl class="footnote brackets">
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<dt class="label" id="id2"><span class="brackets"><a class="fn-backref" href="#id1">1</a></span></dt>
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<dd><p>C. L. Farrow, P. Juhás, J. W. Liu, D. Bryndin, E. S. Božin, J. Bloch,
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<aside class="footnote-list brackets">
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<aside class="footnote brackets" id="id2" role="note">
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<span class="label"><span class="fn-bracket">[</span><a role="doc-backlink" href="#id1">1</a><span class="fn-bracket">]</span></span>
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<p>C. L. Farrow, P. Juhás, J. W. Liu, D. Bryndin, E. S. Božin, J. Bloch,
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Th. Proffen and S. J. L. Billinge, <a class="reference external" href="https://doi.org/10.1088/0953-8984/19/33/335219">PDFfit2 and PDFgui: computer
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programs for studying nanostructure in crystals</a>,
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<em>J. Phys.: Condens. Mat.</em> <strong>19</strong>, 335219 (2007)
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<a class="reference external" href="doc/pdfgui/Farrow-jpcm-2007.pdf"><img alt="downloadFarrowJpcm07" src="_images/pdficon_small.png" /></a></p>
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</dd>
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</dl>
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</div>
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</aside>
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</aside>
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</section>
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</div>

‎_static/_sphinx_javascript_frameworks_compat.js‎

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/*
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* _sphinx_javascript_frameworks_compat.js
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* ~~~~~~~~~~
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*
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* Compatability shim for jQuery and underscores.js.
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*
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* WILL BE REMOVED IN Sphinx 6.0
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* xref RemovedInSphinx60Warning
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*
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*/
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/**
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* select a different prefix for underscore
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*/
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$u = _.noConflict();
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/**
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* small helper function to urldecode strings
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*
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* See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Reference/Global_Objects/decodeURIComponent#Decoding_query_parameters_from_a_URL
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*/
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jQuery.urldecode = function(x) {
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if (!x) {
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return x
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}
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return decodeURIComponent(x.replace(/\+/g, ' '));
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};
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/**
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* small helper function to urlencode strings
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*/
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jQuery.urlencode = encodeURIComponent;
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/**
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* This function returns the parsed url parameters of the
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* current request. Multiple values per key are supported,
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* it will always return arrays of strings for the value parts.
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*/
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jQuery.getQueryParameters = function(s) {
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if (typeof s === 'undefined')
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s = document.location.search;
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var parts = s.substr(s.indexOf('?') + 1).split('&');
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var result = {};
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for (var i = 0; i < parts.length; i++) {
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var tmp = parts[i].split('=', 2);
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var key = jQuery.urldecode(tmp[0]);
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var value = jQuery.urldecode(tmp[1]);
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if (key in result)
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result[key].push(value);
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result[key] = [value];
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}
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return result;
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};
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/**
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* highlight a given string on a jquery object by wrapping it in
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* span elements with the given class name.
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*/
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jQuery.fn.highlightText = function(text, className) {
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function highlight(node, addItems) {
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var pos = val.toLowerCase().indexOf(text);
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!jQuery(node.parentNode).hasClass(className) &&
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!jQuery(node.parentNode).hasClass("nohighlight")) {
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var span;
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var isInSVG = jQuery(node).closest("body, svg, foreignObject").is("svg");
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if (isInSVG) {
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span = document.createElementNS("http://www.w3.org/2000/svg", "tspan");
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} else {
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span = document.createElement("span");
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span.className = className;
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}
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span.appendChild(document.createTextNode(val.substr(pos, text.length)));
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node.parentNode.insertBefore(span, node.parentNode.insertBefore(
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document.createTextNode(val.substr(pos + text.length)),
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node.nextSibling));
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node.nodeValue = val.substr(0, pos);
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if (isInSVG) {
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var rect = document.createElementNS("http://www.w3.org/2000/svg", "rect");
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var bbox = node.parentElement.getBBox();
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rect.x.baseVal.value = bbox.x;
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rect.y.baseVal.value = bbox.y;
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rect.width.baseVal.value = bbox.width;
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rect.height.baseVal.value = bbox.height;
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rect.setAttribute('class', className);
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addItems.push({
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"parent": node.parentNode,
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"target": rect});
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}
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}
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}
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else if (!jQuery(node).is("button, select, textarea")) {
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jQuery.each(node.childNodes, function() {
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highlight(this, addItems);
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});
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}
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}
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var addItems = [];
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var result = this.each(function() {
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highlight(this, addItems);
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});
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for (var i = 0; i < addItems.length; ++i) {
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jQuery(addItems[i].parent).before(addItems[i].target);
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}
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return result;
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};
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/*
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* backward compatibility for jQuery.browser
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* This will be supported until firefox bug is fixed.
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*/
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if (!jQuery.browser) {
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jQuery.uaMatch = function(ua) {
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ua = ua.toLowerCase();
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var match = /(chrome)[ \/]([\w.]+)/.exec(ua) ||
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/(webkit)[ \/]([\w.]+)/.exec(ua) ||
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/(opera)(?:.*version|)[ \/]([\w.]+)/.exec(ua) ||
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/(msie) ([\w.]+)/.exec(ua) ||
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ua.indexOf("compatible") < 0 && /(mozilla)(?:.*? rv:([\w.]+)|)/.exec(ua) ||
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[];
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return {
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browser: match[ 1 ] || "",
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version: match[ 2 ] || "0"
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};
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}

‎_static/basic.css‎

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/* -- general body styles --------------------------------------------------- */
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}
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