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<div class="textblock"><code>#include <vector></code><br/>
<code>#include <<a class="el" href="AASequence_8h_source.html">OpenMS/CHEMISTRY/AASequence.h</a>></code><br/>
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<p><a href="DIAHelper_8h_source.html">Go to the source code of this file.</a></p>
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<tr class="memdesc:namespaceOpenMS"><td class="mdescLeft"> </td><td class="mdescRight">Main OpenMS namespace. <br/></td></tr>
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<tr class="memitem:namespaceOpenMS_1_1DIAHelpers"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenMS_1_1DIAHelpers.html">OpenMS::DIAHelpers</a></td></tr>
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Functions</h2></td></tr>
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<tr class="memitem:a9769de62a2263a1d37c14cc36a4c7991"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenMS_1_1DIAHelpers.html#a9769de62a2263a1d37c14cc36a4c7991">getBYSeries</a> (AASequence &a, std::vector< <a class="el" href="classdouble.html">double</a> > &bseries, std::vector< <a class="el" href="classdouble.html">double</a> > &yseries, UInt charge=1u)</td></tr>
<tr class="memdesc:a9769de62a2263a1d37c14cc36a4c7991"><td class="mdescLeft"> </td><td class="mdescRight">Helper functions for the DIA scoring of OpenSWATH. <a href="#a9769de62a2263a1d37c14cc36a4c7991">More...</a><br/></td></tr>
<tr class="separator:a9769de62a2263a1d37c14cc36a4c7991"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a85cd7b412a7bf9bffdb490e0008a4372"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenMS_1_1DIAHelpers.html#a85cd7b412a7bf9bffdb490e0008a4372">getTheorMasses</a> (AASequence &a, std::vector< <a class="el" href="classdouble.html">double</a> > &masses, UInt charge=1u)</td></tr>
<tr class="memdesc:a85cd7b412a7bf9bffdb490e0008a4372"><td class="mdescLeft"> </td><td class="mdescRight">for SWATH – get the theoretical b and y series masses for a sequence <a href="#a85cd7b412a7bf9bffdb490e0008a4372">More...</a><br/></td></tr>
<tr class="separator:a85cd7b412a7bf9bffdb490e0008a4372"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a9cdad8f5d8f328c29985eedc697c0480"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenMS_1_1DIAHelpers.html#a9cdad8f5d8f328c29985eedc697c0480">getAveragineIsotopeDistribution</a> (<a class="el" href="classdouble.html">double</a> product_mz, std::vector< std::pair< <a class="el" href="classdouble.html">double</a>, <a class="el" href="classdouble.html">double</a> > > &isotopesSpec, <a class="el" href="classdouble.html">double</a> charge=1., int nr_isotopes=4, <a class="el" href="classdouble.html">double</a> mannmass=1.00048)</td></tr>
<tr class="memdesc:a9cdad8f5d8f328c29985eedc697c0480"><td class="mdescLeft"> </td><td class="mdescRight">get averagine distribution given mass <a href="#a9cdad8f5d8f328c29985eedc697c0480">More...</a><br/></td></tr>
<tr class="separator:a9cdad8f5d8f328c29985eedc697c0480"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aa13ca80bab92c96f1ba50e48d11c221f"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenMS_1_1DIAHelpers.html#aa13ca80bab92c96f1ba50e48d11c221f">simulateSpectrumFromAASequence</a> (AASequence &aa, std::vector< <a class="el" href="classdouble.html">double</a> > &firstIsotopeMasses, std::vector< std::pair< <a class="el" href="classdouble.html">double</a>, <a class="el" href="classdouble.html">double</a> > > &isotopeMasses, <a class="el" href="classdouble.html">double</a> charge=1.)</td></tr>
<tr class="memdesc:aa13ca80bab92c96f1ba50e48d11c221f"><td class="mdescLeft"> </td><td class="mdescRight">simulate spectrum from <a class="el" href="classOpenMS_1_1AASequence.html" title="Representation of a peptide/protein sequence. ">AASequence</a> <a href="#aa13ca80bab92c96f1ba50e48d11c221f">More...</a><br/></td></tr>
<tr class="separator:aa13ca80bab92c96f1ba50e48d11c221f"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aca5b206b4fc842041245da352d4bb7d7"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenMS_1_1DIAHelpers.html#aca5b206b4fc842041245da352d4bb7d7">modifyMassesByCharge</a> (const std::vector< std::pair< <a class="el" href="classdouble.html">double</a>, <a class="el" href="classdouble.html">double</a> > > &masses, std::vector< std::pair< <a class="el" href="classdouble.html">double</a>, <a class="el" href="classdouble.html">double</a> > > &modmass, <a class="el" href="classdouble.html">double</a> charge=1.)</td></tr>
<tr class="memdesc:aca5b206b4fc842041245da352d4bb7d7"><td class="mdescLeft"> </td><td class="mdescRight">modify masses by charge <a href="#aca5b206b4fc842041245da352d4bb7d7">More...</a><br/></td></tr>
<tr class="separator:aca5b206b4fc842041245da352d4bb7d7"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a1511d296413984e80255da29ef7c9018"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenMS_1_1DIAHelpers.html#a1511d296413984e80255da29ef7c9018">addPreisotopeWeights</a> (const std::vector< <a class="el" href="classdouble.html">double</a> > &firstIsotopeMasses, std::vector< std::pair< <a class="el" href="classdouble.html">double</a>, <a class="el" href="classdouble.html">double</a> > > &isotopeSpec, UInt nrpeaks=2, <a class="el" href="classdouble.html">double</a> preIsotopePeaksWeight=-0.5, <a class="el" href="classdouble.html">double</a> mannmass=1.000482, <a class="el" href="classdouble.html">double</a> charge=1.)</td></tr>
<tr class="memdesc:a1511d296413984e80255da29ef7c9018"><td class="mdescLeft"> </td><td class="mdescRight">add negative preisotope weights to spectrum <a href="#a1511d296413984e80255da29ef7c9018">More...</a><br/></td></tr>
<tr class="separator:a1511d296413984e80255da29ef7c9018"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a3fcc07b9c14df0a334853c7a807c45fd"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenMS_1_1DIAHelpers.html#a3fcc07b9c14df0a334853c7a807c45fd">addIsotopes2Spec</a> (const std::vector< std::pair< <a class="el" href="classdouble.html">double</a>, <a class="el" href="classdouble.html">double</a> > > &spec, std::vector< std::pair< <a class="el" href="classdouble.html">double</a>, <a class="el" href="classdouble.html">double</a> > > &isotopeMasses, <a class="el" href="classdouble.html">double</a> charge=1.)</td></tr>
<tr class="memdesc:a3fcc07b9c14df0a334853c7a807c45fd"><td class="mdescLeft"> </td><td class="mdescRight">given an experimental spectrum add isotope pattern. <a href="#a3fcc07b9c14df0a334853c7a807c45fd">More...</a><br/></td></tr>
<tr class="separator:a3fcc07b9c14df0a334853c7a807c45fd"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a531c55d1403b0c55e44d153bac38c2d9"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenMS_1_1DIAHelpers.html#a531c55d1403b0c55e44d153bac38c2d9">sortByFirst</a> (std::vector< std::pair< <a class="el" href="classdouble.html">double</a>, <a class="el" href="classdouble.html">double</a> > > &tmp)</td></tr>
<tr class="memdesc:a531c55d1403b0c55e44d153bac38c2d9"><td class="mdescLeft"> </td><td class="mdescRight">sorts vector of pairs by first <a href="#a531c55d1403b0c55e44d153bac38c2d9">More...</a><br/></td></tr>
<tr class="separator:a531c55d1403b0c55e44d153bac38c2d9"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:ab60b132f6575b79c2f6c9d4227ef7872"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenMS_1_1DIAHelpers.html#ab60b132f6575b79c2f6c9d4227ef7872">extractFirst</a> (const std::vector< std::pair< <a class="el" href="classdouble.html">double</a>, <a class="el" href="classdouble.html">double</a> > > &peaks, std::vector< <a class="el" href="classdouble.html">double</a> > &mass)</td></tr>
<tr class="memdesc:ab60b132f6575b79c2f6c9d4227ef7872"><td class="mdescLeft"> </td><td class="mdescRight">extract first from vector of pairs <a href="#ab60b132f6575b79c2f6c9d4227ef7872">More...</a><br/></td></tr>
<tr class="separator:ab60b132f6575b79c2f6c9d4227ef7872"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a358a796392a847b5835d94252a9e7a81"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenMS_1_1DIAHelpers.html#a358a796392a847b5835d94252a9e7a81">extractSecond</a> (const std::vector< std::pair< <a class="el" href="classdouble.html">double</a>, <a class="el" href="classdouble.html">double</a> > > &peaks, std::vector< <a class="el" href="classdouble.html">double</a> > &mass)</td></tr>
<tr class="memdesc:a358a796392a847b5835d94252a9e7a81"><td class="mdescLeft"> </td><td class="mdescRight">extract second from vector of pairs <a href="#a358a796392a847b5835d94252a9e7a81">More...</a><br/></td></tr>
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<TD align="right"><font color="#c0c0c0">Documentation generated on Thu Nov 14 2013 11:19:23 using doxygen 1.8.5</font></TD>
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