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<a href="IsobaricQuantifierStatistics_8h.html">Go to the documentation of this file.</a><div class="fragment"><div class="line"><a name="l00001"></a><span class="lineno">    1</span>&#160;<span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00002"></a><span class="lineno">    2</span>&#160;<span class="comment">//                   OpenMS -- Open-Source Mass Spectrometry</span></div>
<div class="line"><a name="l00003"></a><span class="lineno">    3</span>&#160;<span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00004"></a><span class="lineno">    4</span>&#160;<span class="comment">// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,</span></div>
<div class="line"><a name="l00005"></a><span class="lineno">    5</span>&#160;<span class="comment">// ETH Zurich, and Freie Universitaet Berlin 2002-2013.</span></div>
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<div class="line"><a name="l00031"></a><span class="lineno">   31</span>&#160;<span class="comment">// $Maintainer: Stephan Aiche $</span></div>
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<div class="line"><a name="l00035"></a><span class="lineno">   35</span>&#160;<span class="preprocessor">#ifndef OPENMS_ANALYSIS_QUANTITATION_ISOBARICQUANTIFIERSTATISTICS_H</span></div>
<div class="line"><a name="l00036"></a><span class="lineno">   36</span>&#160;<span class="preprocessor"></span><span class="preprocessor">#define OPENMS_ANALYSIS_QUANTITATION_ISOBARICQUANTIFIERSTATISTICS_H</span></div>
<div class="line"><a name="l00037"></a><span class="lineno">   37</span>&#160;<span class="preprocessor"></span></div>
<div class="line"><a name="l00038"></a><span class="lineno">   38</span>&#160;<span class="preprocessor">#include &lt;<a class="code" href="Types_8h.html">OpenMS/CONCEPT/Types.h</a>&gt;</span></div>
<div class="line"><a name="l00039"></a><span class="lineno">   39</span>&#160;</div>
<div class="line"><a name="l00040"></a><span class="lineno">   40</span>&#160;<span class="preprocessor">#include &lt;map&gt;</span></div>
<div class="line"><a name="l00041"></a><span class="lineno">   41</span>&#160;</div>
<div class="line"><a name="l00042"></a><span class="lineno">   42</span>&#160;<span class="keyword">namespace </span>OpenMS</div>
<div class="line"><a name="l00043"></a><span class="lineno">   43</span>&#160;{</div>
<div class="line"><a name="l00047"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsobaricQuantifierStatistics.html">   47</a></span>&#160;  <span class="keyword">struct </span>OPENMS_DLLAPI <a class="code" href="structOpenMS_1_1IsobaricQuantifierStatistics.html">IsobaricQuantifierStatistics</a></div>
<div class="line"><a name="l00048"></a><span class="lineno">   48</span>&#160;  {</div>
<div class="line"><a name="l00052"></a><span class="lineno">   52</span>&#160;    <a class="code" href="structOpenMS_1_1IsobaricQuantifierStatistics.html">IsobaricQuantifierStatistics</a>();</div>
<div class="line"><a name="l00053"></a><span class="lineno">   53</span>&#160;</div>
<div class="line"><a name="l00057"></a><span class="lineno">   57</span>&#160;    <span class="keywordtype">void</span> reset();</div>
<div class="line"><a name="l00058"></a><span class="lineno">   58</span>&#160;</div>
<div class="line"><a name="l00059"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a38852688a32eab0f036dbc020ccfd797">   59</a></span>&#160;    <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a38852688a32eab0f036dbc020ccfd797">channel_count</a>; <span class="comment">//&lt; 4plex, 6plex, or 8 plex?!</span></div>
<div class="line"><a name="l00060"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#ac7e6a7cd7908d50290867e87a0a2bdb1">   60</a></span>&#160;    <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#ac7e6a7cd7908d50290867e87a0a2bdb1">iso_number_ms2_negative</a>; <span class="comment">//&lt; number of MS2 spectra where one or more channels had negative solution</span></div>
<div class="line"><a name="l00061"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#aa18934d89944556021f39387e8d53347">   61</a></span>&#160;    <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#aa18934d89944556021f39387e8d53347">iso_number_reporter_negative</a>; <span class="comment">//&lt; number of channels where naive solution was negative</span></div>
<div class="line"><a name="l00062"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a43d8ac69065095aa5d7e5b6b0c798d6a">   62</a></span>&#160;    <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a43d8ac69065095aa5d7e5b6b0c798d6a">iso_number_reporter_different</a>; <span class="comment">//&lt; number of channels &gt;0 where naive solution was different; happens when naive solution is negative in other channels</span></div>
<div class="line"><a name="l00063"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a04cebfa5e2b505c16b3746651528a189">   63</a></span>&#160;    <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a04cebfa5e2b505c16b3746651528a189">iso_solution_different_intensity</a>; <span class="comment">//&lt; absolute intensity difference between both solutions (for channels &gt; 0)</span></div>
<div class="line"><a name="l00064"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#aeb6cda3de6570b7e072fbb48aee7f4c6">   64</a></span>&#160;    <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#aeb6cda3de6570b7e072fbb48aee7f4c6">iso_total_intensity_negative</a>; <span class="comment">//&lt; only for spectra where naive solution is negative</span></div>
<div class="line"><a name="l00065"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a1de4edd4b171bf46d4edfac51d92d6e8">   65</a></span>&#160;    <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a1de4edd4b171bf46d4edfac51d92d6e8">number_ms2_total</a>; <span class="comment">//&lt; total number of MS2 spectra</span></div>
<div class="line"><a name="l00066"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a915e3f5eba5df2e5ab4ea0c49183e1df">   66</a></span>&#160;    <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a915e3f5eba5df2e5ab4ea0c49183e1df">number_ms2_empty</a>; <span class="comment">//&lt; number of empty MS2 (no reporters at all)</span></div>
<div class="line"><a name="l00067"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a6a87c6d5c9c6976e235a8110f37d3225">   67</a></span>&#160;    std::map&lt;Size, Size&gt; <a class="code" href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a6a87c6d5c9c6976e235a8110f37d3225">empty_channels</a>; <span class="comment">//&lt; Channel_ID -&gt; Missing; indicating the number of empty channels from all MS2 scans, i.e., numbers are between number_ms2_empty and number_ms2_total</span></div>
<div class="line"><a name="l00068"></a><span class="lineno">   68</span>&#160;</div>
<div class="line"><a name="l00070"></a><span class="lineno">   70</span>&#160;    IsobaricQuantifierStatistics(<span class="keyword">const</span> IsobaricQuantifierStatistics&amp; other);</div>
<div class="line"><a name="l00071"></a><span class="lineno">   71</span>&#160;</div>
<div class="line"><a name="l00073"></a><span class="lineno">   73</span>&#160;    IsobaricQuantifierStatistics&amp; operator=(<span class="keyword">const</span> IsobaricQuantifierStatistics&amp; rhs);</div>
<div class="line"><a name="l00074"></a><span class="lineno">   74</span>&#160;  };</div>
<div class="line"><a name="l00075"></a><span class="lineno">   75</span>&#160;} <span class="comment">// namespace</span></div>
<div class="line"><a name="l00076"></a><span class="lineno">   76</span>&#160;</div>
<div class="line"><a name="l00077"></a><span class="lineno">   77</span>&#160;<span class="preprocessor">#endif // OPENMS_ANALYSIS_QUANTITATION_ISOBARICQUANTIFIERSTATISTICS_H</span></div>
<div class="ttc" id="Types_8h_html"><div class="ttname"><a href="Types_8h.html">Types.h</a></div></div>
<div class="ttc" id="structOpenMS_1_1IsobaricQuantifierStatistics_html_a915e3f5eba5df2e5ab4ea0c49183e1df"><div class="ttname"><a href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a915e3f5eba5df2e5ab4ea0c49183e1df">OpenMS::IsobaricQuantifierStatistics::number_ms2_empty</a></div><div class="ttdeci">Size number_ms2_empty</div><div class="ttdef"><b>Definition:</b> IsobaricQuantifierStatistics.h:66</div></div>
<div class="ttc" id="structOpenMS_1_1IsobaricQuantifierStatistics_html_a04cebfa5e2b505c16b3746651528a189"><div class="ttname"><a href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a04cebfa5e2b505c16b3746651528a189">OpenMS::IsobaricQuantifierStatistics::iso_solution_different_intensity</a></div><div class="ttdeci">DoubleReal iso_solution_different_intensity</div><div class="ttdef"><b>Definition:</b> IsobaricQuantifierStatistics.h:63</div></div>
<div class="ttc" id="classdouble_html"><div class="ttname"><a href="classdouble.html">double</a></div></div>
<div class="ttc" id="structOpenMS_1_1IsobaricQuantifierStatistics_html"><div class="ttname"><a href="structOpenMS_1_1IsobaricQuantifierStatistics.html">OpenMS::IsobaricQuantifierStatistics</a></div><div class="ttdoc">Statistics for quantitation performance and comparison of NNLS vs. naive method (aka matrix inversion...</div><div class="ttdef"><b>Definition:</b> IsobaricQuantifierStatistics.h:47</div></div>
<div class="ttc" id="structOpenMS_1_1IsobaricQuantifierStatistics_html_a6a87c6d5c9c6976e235a8110f37d3225"><div class="ttname"><a href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a6a87c6d5c9c6976e235a8110f37d3225">OpenMS::IsobaricQuantifierStatistics::empty_channels</a></div><div class="ttdeci">std::map&lt; Size, Size &gt; empty_channels</div><div class="ttdef"><b>Definition:</b> IsobaricQuantifierStatistics.h:67</div></div>
<div class="ttc" id="structOpenMS_1_1IsobaricQuantifierStatistics_html_aeb6cda3de6570b7e072fbb48aee7f4c6"><div class="ttname"><a href="structOpenMS_1_1IsobaricQuantifierStatistics.html#aeb6cda3de6570b7e072fbb48aee7f4c6">OpenMS::IsobaricQuantifierStatistics::iso_total_intensity_negative</a></div><div class="ttdeci">DoubleReal iso_total_intensity_negative</div><div class="ttdef"><b>Definition:</b> IsobaricQuantifierStatistics.h:64</div></div>
<div class="ttc" id="structOpenMS_1_1IsobaricQuantifierStatistics_html_a1de4edd4b171bf46d4edfac51d92d6e8"><div class="ttname"><a href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a1de4edd4b171bf46d4edfac51d92d6e8">OpenMS::IsobaricQuantifierStatistics::number_ms2_total</a></div><div class="ttdeci">Size number_ms2_total</div><div class="ttdef"><b>Definition:</b> IsobaricQuantifierStatistics.h:65</div></div>
<div class="ttc" id="group__Concept_html_gaf9ecec2d692138fab9167164a457cbd4"><div class="ttname"><a href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">OpenMS::Size</a></div><div class="ttdeci">size_t Size</div><div class="ttdoc">Size type e.g. used as variable which can hold result of size() </div><div class="ttdef"><b>Definition:</b> Types.h:144</div></div>
<div class="ttc" id="structOpenMS_1_1IsobaricQuantifierStatistics_html_ac7e6a7cd7908d50290867e87a0a2bdb1"><div class="ttname"><a href="structOpenMS_1_1IsobaricQuantifierStatistics.html#ac7e6a7cd7908d50290867e87a0a2bdb1">OpenMS::IsobaricQuantifierStatistics::iso_number_ms2_negative</a></div><div class="ttdeci">Size iso_number_ms2_negative</div><div class="ttdef"><b>Definition:</b> IsobaricQuantifierStatistics.h:60</div></div>
<div class="ttc" id="structOpenMS_1_1IsobaricQuantifierStatistics_html_aa18934d89944556021f39387e8d53347"><div class="ttname"><a href="structOpenMS_1_1IsobaricQuantifierStatistics.html#aa18934d89944556021f39387e8d53347">OpenMS::IsobaricQuantifierStatistics::iso_number_reporter_negative</a></div><div class="ttdeci">Size iso_number_reporter_negative</div><div class="ttdef"><b>Definition:</b> IsobaricQuantifierStatistics.h:61</div></div>
<div class="ttc" id="structOpenMS_1_1IsobaricQuantifierStatistics_html_a38852688a32eab0f036dbc020ccfd797"><div class="ttname"><a href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a38852688a32eab0f036dbc020ccfd797">OpenMS::IsobaricQuantifierStatistics::channel_count</a></div><div class="ttdeci">Size channel_count</div><div class="ttdef"><b>Definition:</b> IsobaricQuantifierStatistics.h:59</div></div>
<div class="ttc" id="structOpenMS_1_1IsobaricQuantifierStatistics_html_a43d8ac69065095aa5d7e5b6b0c798d6a"><div class="ttname"><a href="structOpenMS_1_1IsobaricQuantifierStatistics.html#a43d8ac69065095aa5d7e5b6b0c798d6a">OpenMS::IsobaricQuantifierStatistics::iso_number_reporter_different</a></div><div class="ttdeci">Size iso_number_reporter_different</div><div class="ttdef"><b>Definition:</b> IsobaricQuantifierStatistics.h:62</div></div>
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<TD><font color="#c0c0c0">OpenMS / TOPP release 1.11.1</font></TD>
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