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metfrag_overview.html
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<!doctype html>
<html lang="en">
<head>
<meta charset="utf-8">
<title>MetFrag Overview</title>
<link rel="stylesheet" href="reveal.js/css/reveal.css">
<link rel="stylesheet" href="reveal.js/css/theme/black.css" id="theme">
<link rel="stylesheet" href="reveal.js/css/reveal-override.css"/>
<link rel="stylesheet" href="reveal.js/lib/css/zenburn.css">
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var link = document.createElement('link');
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link.href = window.location.search.match(/print-pdf/gi) ? 'css/print/pdf.css'
: 'css/print/paper.css';
document.getElementsByTagName('head')[0].appendChild(link);
</script>
</head>
<body>
<div class="reveal">
<div class="slides">
<section>
<h1>MetFrag Overview</h1>
</section>
<section>
<h2>Function</h2>
<ul>
<li>Identification of unknown small molecules from high resolution, accurate mass spectrometry with reference standard data is not possible for complex samples, e.g. in metabolomics.</li>
<li>MetFrag proposes tentative identifications.</li>
</ul>
</section>
<section>
<h2>Functional Principle</h2>
<div style="width: 70%; float:left">
<img src="media/principle.png" alt="Principle" style="border: 0;"/>
</div>
<div style="width: 30%; float:right">
<ul>
<li>candidate selection</li>
<li class="fragment">in silico fragmentation</li>
<li class="fragment">scoring/ranking</li>
</ul>
</div>
</section>
<section>
<h2>Algorithm</h2>
<div style="width: 60%; float:left">
<img src="media/algorithm.png" alt="Algorithm" style="border: 0;"/>
</div>
<div style="width: 40%; float:right">
<small>
<ul>
<li>candidate structure</li>
<li>preprocess, e.g. H<sub>2</sub>O, HCN</li>
<li>systematic bond disconnection:<br>
<ul>
<li>linear:<span style="color:green"> single split</span></li>
<li>ring:<span style="color:red"> double split</span></li>
</ul>→ <i>in sillico</i> fragmentation tree
</li>
<li>fragments explain measured peaks</li>
<li>modified peak count scoring: mass/intensity<br>
<img src="media/formula.png" alt="Formula" style="border: 0;"/>
</li>
<li><em>Not</em> intended to be a physical model!</li>
</ul>
</small>
</div>
</section>
<section>
<h2>Scoring extensions</h2>
<img src="media/scoring.png" alt="Scoring" style="border: 0;"/>
</section>
</div>
</div>
<script src="reveal.js/lib/js/head.min.js"></script>
<script src="reveal.js/js/reveal.js"></script>
<script>
Reveal.initialize({
controls : true,
progress : true,
history : false,
center : true,
width : 1000,
height : 1000,
margin : 0.15,
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</body>
</html>