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Update procedure description
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@ -26,8 +26,16 @@ draft: false
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<script>
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window.onload = async () => {
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const LatexInline = ['\\(', '\\)']
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var slist = $("#SelectList")
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getAllSelect().each(function () {
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$("<li/>").text($('label[for="' + $(this).attr('id') + '"]').text()).appendTo(slist)
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})
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var cbextl = $("#cb_exTypeList")
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var allc = $("#AllowList>li:last-child")
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var extl = $("#exTypeList")
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var vertkindtl=$("#exVertKindList")
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for (const [name, value] of VertExcitationKinds.All) {
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$("<li/>").text(name).appendTo(vertkindtl)
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}
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for (const [name, value] of excitationTypes.All) {
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var description = null
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switch (Number(value)) {
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@ -54,7 +62,7 @@ draft: false
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description = null;
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break;
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}
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$("<li/>").text(LatexInline[0] + value.LaTeX + LatexInline[1] + (description == null ? '' : ": " + description)).insertBefore(allc)
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$("<li/>").text(LatexInline[0] + value.LaTeX + LatexInline[1] + (description == null ? '' : ": " + description)).appendTo(extl)
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var cbli = $("<li/>")
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$("<input/>", { type: "checkbox", id: "cb_" + name, name: name, value: Number(value) }).change(nestedCheckbox_change).appendTo(cbli);
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$('<label />', { 'for': 'cb_' + name, text: LatexInline[0] + value.LaTeX + LatexInline[1] + (description == null ? '' : ": " + description) }).appendTo(cbli);
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@ -62,7 +70,8 @@ draft: false
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}
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await MathJax.typesetPromise();
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delete (cbextl)
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delete (allc)
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delete (extl)
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delete (vertkindtl)
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window.doiCache = new DOICache()
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await loadFiles()
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}
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@ -428,17 +437,21 @@ draft: false
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In this page you can compare multiple dataset and have somme statistics to evaluate method or basis accuracy.
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For this follow this steps
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<ol>
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<li>Select a value type (Absorption, fluorescence or \(\Delta \text{ZPE}\))</li>
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<li>You can add custom files if you want</li>
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<li>Choose each parameters (of course you can select multiples values for each)</li>
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<li>Add custom files</li>
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<ul>
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<li>Molecule</li>
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<li>Method</li>
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<li>Set</li>
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<li>Allow:</li>
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<ul id="AllowList">
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<li>Unsafe</li>
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<li>Absorption</li>
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<li>Fluorescence</li>
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</ul>
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<li>Choose each parameters (of course you can select multiples values for each) you can use the the <button
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disabled>Select all</button> button to select all items</li>
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<ul id="SelectList"></ul>
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<li>Choose filters:</li>
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<ul>
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<li>Choose what kind of vertical excitations you want</li>
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<ul id="exVertKindList"></ul>
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<li>Choose other excitation parameters you want</li>
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<ul id="exTypeList"></ul>
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<li>Choose if you want to include unsafe values in statistics</li>
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</ul>
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<li>Select a reference from <strong>already selected data</strong> (by default first is selected -it's the <abbr
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title="Theoretical best estimate">TBE</abbr> if present- is already selected)</li>
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