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<TITLE>FeatureFinderAlgorithmPickedHelperStructs::MassTrace&lt; PeakType &gt; Struct Template Reference</TITLE>
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<p>Helper struct for mass traces used in <a class="el" href="classOpenMS_1_1FeatureFinderAlgorithmPicked.html" title="FeatureFinderAlgorithm for picked peaks. ">FeatureFinderAlgorithmPicked</a>.  
 <a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#details">More...</a></p>

<p><code>#include &lt;<a class="el" href="FeatureFinderAlgorithmPickedHelperStructs_8h_source.html">OpenMS/TRANSFORMATIONS/FEATUREFINDER/FeatureFinderAlgorithmPickedHelperStructs.h</a>&gt;</code></p>
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<tr class="heading"><td colspan="2"><h2 class="groupheader"><a name="pub-methods"></a>
Public Member Functions</h2></td></tr>
<tr class="memitem:a4e03424081001803c857e174edc57ebe"><td class="memItemLeft" align="right" valign="top"><a class="el" href="classOpenMS_1_1ConvexHull2D.html">ConvexHull2D</a>&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a4e03424081001803c857e174edc57ebe">getConvexhull</a> () const </td></tr>
<tr class="memdesc:a4e03424081001803c857e174edc57ebe"><td class="mdescLeft">&#160;</td><td class="mdescRight">determines the convex hull of the trace  <a href="#a4e03424081001803c857e174edc57ebe">More...</a><br/></td></tr>
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<tr class="memitem:ab7ab5a380f7580b4a72e45ed1b97e223"><td class="memItemLeft" align="right" valign="top">void&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#ab7ab5a380f7580b4a72e45ed1b97e223">updateMaximum</a> ()</td></tr>
<tr class="memdesc:ab7ab5a380f7580b4a72e45ed1b97e223"><td class="mdescLeft">&#160;</td><td class="mdescRight">Sets the maximum to the highest contained peak of the trace.  <a href="#ab7ab5a380f7580b4a72e45ed1b97e223">More...</a><br/></td></tr>
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<tr class="memitem:a9e412d0107d500905395b1e24908fca1"><td class="memItemLeft" align="right" valign="top"><a class="el" href="group__Concept.html#gace75bfb1aba684e874dffee13738bd15">DoubleReal</a>&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a9e412d0107d500905395b1e24908fca1">getAvgMZ</a> () const </td></tr>
<tr class="memdesc:a9e412d0107d500905395b1e24908fca1"><td class="mdescLeft">&#160;</td><td class="mdescRight">Returns the average m/z of all peaks in this trace (weighted by intensity)  <a href="#a9e412d0107d500905395b1e24908fca1">More...</a><br/></td></tr>
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<tr class="memitem:aac1b70a2ed67ead038c4d3f5ac4d8a81"><td class="memItemLeft" align="right" valign="top">bool&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#aac1b70a2ed67ead038c4d3f5ac4d8a81">isValid</a> () const </td></tr>
<tr class="memdesc:aac1b70a2ed67ead038c4d3f5ac4d8a81"><td class="mdescLeft">&#160;</td><td class="mdescRight">Checks if this Trace is valid (has more than 2 points)  <a href="#aac1b70a2ed67ead038c4d3f5ac4d8a81">More...</a><br/></td></tr>
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Public Attributes</h2></td></tr>
<tr class="memitem:a5b4f59cd6190bad20c6cd235e77b34f6"><td class="memItemLeft" align="right" valign="top">const <a class="el" href="namespaceOpenMS.html#a013338b7bdbb5c3b4c78666656070e23">PeakType</a> *&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a5b4f59cd6190bad20c6cd235e77b34f6">max_peak</a></td></tr>
<tr class="memdesc:a5b4f59cd6190bad20c6cd235e77b34f6"><td class="mdescLeft">&#160;</td><td class="mdescRight">Maximum peak pointer.  <a href="#a5b4f59cd6190bad20c6cd235e77b34f6">More...</a><br/></td></tr>
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<tr class="memitem:a939a68c9800eb2c9017f45c93f913c89"><td class="memItemLeft" align="right" valign="top"><a class="el" href="group__Concept.html#gace75bfb1aba684e874dffee13738bd15">DoubleReal</a>&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a939a68c9800eb2c9017f45c93f913c89">max_rt</a></td></tr>
<tr class="memdesc:a939a68c9800eb2c9017f45c93f913c89"><td class="mdescLeft">&#160;</td><td class="mdescRight">RT of maximum peak.  <a href="#a939a68c9800eb2c9017f45c93f913c89">More...</a><br/></td></tr>
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<tr class="memitem:a7db81fa54d4743c867872ac5b0938247"><td class="memItemLeft" align="right" valign="top"><a class="el" href="group__Concept.html#gace75bfb1aba684e874dffee13738bd15">DoubleReal</a>&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a7db81fa54d4743c867872ac5b0938247">theoretical_int</a></td></tr>
<tr class="memdesc:a7db81fa54d4743c867872ac5b0938247"><td class="mdescLeft">&#160;</td><td class="mdescRight">Theoretical intensity value (scaled to [0,1])  <a href="#a7db81fa54d4743c867872ac5b0938247">More...</a><br/></td></tr>
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<tr class="memitem:a45696e11061da82e7cfd8a0ee88f5d8e"><td class="memItemLeft" align="right" valign="top">std::vector&lt; std::pair<br class="typebreak"/>
&lt; <a class="el" href="group__Concept.html#gace75bfb1aba684e874dffee13738bd15">DoubleReal</a>, const <a class="el" href="namespaceOpenMS.html#a013338b7bdbb5c3b4c78666656070e23">PeakType</a> * &gt; &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a45696e11061da82e7cfd8a0ee88f5d8e">peaks</a></td></tr>
<tr class="memdesc:a45696e11061da82e7cfd8a0ee88f5d8e"><td class="mdescLeft">&#160;</td><td class="mdescRight">Contained peaks (pair of RT and pointer to peak)  <a href="#a45696e11061da82e7cfd8a0ee88f5d8e">More...</a><br/></td></tr>
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<a name="details" id="details"></a><h2 class="groupheader">Detailed Description</h2>
<div class="textblock"><h3>template&lt;class PeakType&gt;<br/>
struct OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTrace&lt; PeakType &gt;</h3>

<p>Helper struct for mass traces used in <a class="el" href="classOpenMS_1_1FeatureFinderAlgorithmPicked.html" title="FeatureFinderAlgorithm for picked peaks. ">FeatureFinderAlgorithmPicked</a>. </p>
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<p>Returns the average m/z of all peaks in this trace (weighted by intensity) </p>

<p>References <a class="el" href="group__MathFunctionsStatistics.html#ga55edf7ee469b3d635c367d9c83fe87f5">OpenMS::Math::sum()</a>.</p>

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<p>determines the convex hull of the trace </p>

<p>References <a class="el" href="classOpenMS_1_1ConvexHull2D.html#ad84ba51670fc0bd9b6b2091ba27c3013">ConvexHull2D::addPoints()</a>.</p>

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<p>Checks if this Trace is valid (has more than 2 points) </p>

<p>Referenced by <a class="el" href="classOpenMS_1_1FeatureFinderAlgorithmPicked.html#a1f44db8f9a5426ed4be51833385f5d6a">FeatureFinderAlgorithmPicked&lt; PeakType, FeatureType &gt;::cropFeature_()</a>, and <a class="el" href="classOpenMS_1_1FeatureFinderAlgorithmPicked.html#a00f443c46b1d9f3485ef02d844b2433d">FeatureFinderAlgorithmPicked&lt; PeakType, FeatureType &gt;::extendMassTraces_()</a>.</p>

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<p>Sets the maximum to the highest contained peak of the trace. </p>

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          <td class="memname">const <a class="el" href="namespaceOpenMS.html#a013338b7bdbb5c3b4c78666656070e23">PeakType</a>* max_peak</td>
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<p>Maximum peak pointer. </p>

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          <td class="memname"><a class="el" href="group__Concept.html#gace75bfb1aba684e874dffee13738bd15">DoubleReal</a> max_rt</td>
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<p>RT of maximum peak. </p>

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<p>Contained peaks (pair of RT and pointer to peak) </p>

<p>Referenced by <a class="el" href="classOpenMS_1_1FeatureFinderAlgorithmPicked.html#aef59aef1baf90c9ea2376d677c9bf79d">FeatureFinderAlgorithmPicked&lt; PeakType, FeatureType &gt;::checkFeatureQuality_()</a>, <a class="el" href="classOpenMS_1_1GaussTraceFitter.html#ad4ae88cf98ab9fa0da9bb0da7274bf66">GaussTraceFitter&lt; PeakType &gt;::computeTheoretical()</a>, <a class="el" href="classOpenMS_1_1EGHTraceFitter.html#ad4ae88cf98ab9fa0da9bb0da7274bf66">EGHTraceFitter&lt; PeakType &gt;::computeTheoretical()</a>, <a class="el" href="classOpenMS_1_1FeatureFinderAlgorithmPicked.html#a1f44db8f9a5426ed4be51833385f5d6a">FeatureFinderAlgorithmPicked&lt; PeakType, FeatureType &gt;::cropFeature_()</a>, <a class="el" href="classOpenMS_1_1FeatureFinderAlgorithmPicked.html#aa839121d4666e45d2b5b6d6eab010c5f">FeatureFinderAlgorithmPicked&lt; PeakType, FeatureType &gt;::extendMassTrace_()</a>, <a class="el" href="classOpenMS_1_1FeatureFinderAlgorithmPicked.html#a00f443c46b1d9f3485ef02d844b2433d">FeatureFinderAlgorithmPicked&lt; PeakType, FeatureType &gt;::extendMassTraces_()</a>, <a class="el" href="classOpenMS_1_1GaussTraceFitter.html#aec1047b65b7c4bbdf4651727b639e06b">GaussTraceFitter&lt; PeakType &gt;::jacobian_()</a>, <a class="el" href="classOpenMS_1_1EGHTraceFitter.html#aec1047b65b7c4bbdf4651727b639e06b">EGHTraceFitter&lt; PeakType &gt;::jacobian_()</a>, <a class="el" href="classOpenMS_1_1GaussTraceFitter.html#a27af5678c8951895a47f28421bbfbbdf">GaussTraceFitter&lt; PeakType &gt;::residual_()</a>, and <a class="el" href="classOpenMS_1_1EGHTraceFitter.html#a27af5678c8951895a47f28421bbfbbdf">EGHTraceFitter&lt; PeakType &gt;::residual_()</a>.</p>

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<p>Theoretical intensity value (scaled to [0,1]) </p>

<p>Referenced by <a class="el" href="classOpenMS_1_1GaussTraceFitter.html#ad4ae88cf98ab9fa0da9bb0da7274bf66">GaussTraceFitter&lt; PeakType &gt;::computeTheoretical()</a>, <a class="el" href="classOpenMS_1_1EGHTraceFitter.html#ad4ae88cf98ab9fa0da9bb0da7274bf66">EGHTraceFitter&lt; PeakType &gt;::computeTheoretical()</a>, <a class="el" href="classOpenMS_1_1FeatureFinderAlgorithmPicked.html#a1f44db8f9a5426ed4be51833385f5d6a">FeatureFinderAlgorithmPicked&lt; PeakType, FeatureType &gt;::cropFeature_()</a>, <a class="el" href="classOpenMS_1_1GaussTraceFitter.html#a30c8ffe521f049061e56fa2ce1b13193">GaussTraceFitter&lt; PeakType &gt;::getGnuplotFormula()</a>, <a class="el" href="classOpenMS_1_1EGHTraceFitter.html#a6923eb0e13b4eb55a341cdc873220e69">EGHTraceFitter&lt; PeakType &gt;::getGnuplotFormula()</a>, <a class="el" href="classOpenMS_1_1GaussTraceFitter.html#aec1047b65b7c4bbdf4651727b639e06b">GaussTraceFitter&lt; PeakType &gt;::jacobian_()</a>, <a class="el" href="classOpenMS_1_1EGHTraceFitter.html#aec1047b65b7c4bbdf4651727b639e06b">EGHTraceFitter&lt; PeakType &gt;::jacobian_()</a>, <a class="el" href="classOpenMS_1_1GaussTraceFitter.html#a27af5678c8951895a47f28421bbfbbdf">GaussTraceFitter&lt; PeakType &gt;::residual_()</a>, and <a class="el" href="classOpenMS_1_1EGHTraceFitter.html#a27af5678c8951895a47f28421bbfbbdf">EGHTraceFitter&lt; PeakType &gt;::residual_()</a>.</p>

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