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<li class="navelem"><a class="el" href="dir_e770f0cf77e550adde3f44739ef529fe.html">include</a></li><li class="navelem"><a class="el" href="dir_6a63c4937d4da007e55fff5dcf71e0f8.html">OpenMS</a></li><li class="navelem"><a class="el" href="dir_9f700962877a340cb515a8f4e78fa50c.html">TRANSFORMATIONS</a></li><li class="navelem"><a class="el" href="dir_37e9c1b52d0b253b62f883ccdf65930c.html">FEATUREFINDER</a></li><li class="navelem"><a class="el" href="dir_85426f95c54d3036067585334ac23a8c.html">SUPERHIRN</a></li> </ul>
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<div class="title">MSPeak.h</div> </div>
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<a href="MSPeak_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> <span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00002"></a><span class="lineno"> 2</span> <span class="comment">// OpenMS -- Open-Source Mass Spectrometry</span></div>
<div class="line"><a name="l00003"></a><span class="lineno"> 3</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00004"></a><span class="lineno"> 4</span> <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> <span class="comment">// ETH Zurich, and Freie Universitaet Berlin 2002-2013.</span></div>
<div class="line"><a name="l00006"></a><span class="lineno"> 6</span> <span class="comment">//</span></div>
<div class="line"><a name="l00007"></a><span class="lineno"> 7</span> <span class="comment">// This software is released under a three-clause BSD license:</span></div>
<div class="line"><a name="l00008"></a><span class="lineno"> 8</span> <span class="comment">// * Redistributions of source code must retain the above copyright</span></div>
<div class="line"><a name="l00009"></a><span class="lineno"> 9</span> <span class="comment">// notice, this list of conditions and the following disclaimer.</span></div>
<div class="line"><a name="l00010"></a><span class="lineno"> 10</span> <span class="comment">// * Redistributions in binary form must reproduce the above copyright</span></div>
<div class="line"><a name="l00011"></a><span class="lineno"> 11</span> <span class="comment">// notice, this list of conditions and the following disclaimer in the</span></div>
<div class="line"><a name="l00012"></a><span class="lineno"> 12</span> <span class="comment">// documentation and/or other materials provided with the distribution.</span></div>
<div class="line"><a name="l00013"></a><span class="lineno"> 13</span> <span class="comment">// * Neither the name of any author or any participating institution</span></div>
<div class="line"><a name="l00014"></a><span class="lineno"> 14</span> <span class="comment">// may be used to endorse or promote products derived from this software</span></div>
<div class="line"><a name="l00015"></a><span class="lineno"> 15</span> <span class="comment">// without specific prior written permission.</span></div>
<div class="line"><a name="l00016"></a><span class="lineno"> 16</span> <span class="comment">// For a full list of authors, refer to the file AUTHORS.</span></div>
<div class="line"><a name="l00017"></a><span class="lineno"> 17</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00018"></a><span class="lineno"> 18</span> <span class="comment">// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"</span></div>
<div class="line"><a name="l00019"></a><span class="lineno"> 19</span> <span class="comment">// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE</span></div>
<div class="line"><a name="l00020"></a><span class="lineno"> 20</span> <span class="comment">// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE</span></div>
<div class="line"><a name="l00021"></a><span class="lineno"> 21</span> <span class="comment">// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING</span></div>
<div class="line"><a name="l00022"></a><span class="lineno"> 22</span> <span class="comment">// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,</span></div>
<div class="line"><a name="l00023"></a><span class="lineno"> 23</span> <span class="comment">// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,</span></div>
<div class="line"><a name="l00024"></a><span class="lineno"> 24</span> <span class="comment">// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;</span></div>
<div class="line"><a name="l00025"></a><span class="lineno"> 25</span> <span class="comment">// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,</span></div>
<div class="line"><a name="l00026"></a><span class="lineno"> 26</span> <span class="comment">// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR</span></div>
<div class="line"><a name="l00027"></a><span class="lineno"> 27</span> <span class="comment">// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF</span></div>
<div class="line"><a name="l00028"></a><span class="lineno"> 28</span> <span class="comment">// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.</span></div>
<div class="line"><a name="l00029"></a><span class="lineno"> 29</span> <span class="comment">//</span></div>
<div class="line"><a name="l00030"></a><span class="lineno"> 30</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00031"></a><span class="lineno"> 31</span> <span class="comment">// $Maintainer: Florian Zeller $</span></div>
<div class="line"><a name="l00032"></a><span class="lineno"> 32</span> <span class="comment">// $Authors: Lukas Mueller, Markus Mueller $</span></div>
<div class="line"><a name="l00033"></a><span class="lineno"> 33</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00034"></a><span class="lineno"> 34</span> <span class="comment">//</span></div>
<div class="line"><a name="l00036"></a><span class="lineno"> 36</span> <span class="comment"></span><span class="comment">//</span></div>
<div class="line"><a name="l00037"></a><span class="lineno"> 37</span> <span class="comment">// PEAK DETECTION OF FOURIER TRANSFORME MS INSTRUMENT DATA</span></div>
<div class="line"><a name="l00038"></a><span class="lineno"> 38</span> <span class="comment">//</span></div>
<div class="line"><a name="l00039"></a><span class="lineno"> 39</span> <span class="comment">// written by Markus Mueller, markus.mueller@imsb.biol.ethz.ch</span></div>
<div class="line"><a name="l00040"></a><span class="lineno"> 40</span> <span class="comment">// and Lukas Mueller, Lukas.Mueller@imsb.biol.ethz.ch</span></div>
<div class="line"><a name="l00041"></a><span class="lineno"> 41</span> <span class="comment">// October 2005</span></div>
<div class="line"><a name="l00042"></a><span class="lineno"> 42</span> <span class="comment">//</span></div>
<div class="line"><a name="l00043"></a><span class="lineno"> 43</span> <span class="comment">// Ported to OpenMS by Florian Zeller, florian.zeller@bsse.ethz.ch</span></div>
<div class="line"><a name="l00044"></a><span class="lineno"> 44</span> <span class="comment">// December 2010</span></div>
<div class="line"><a name="l00045"></a><span class="lineno"> 45</span> <span class="comment">//</span></div>
<div class="line"><a name="l00046"></a><span class="lineno"> 46</span> <span class="comment">// Group of Prof. Ruedi Aebersold, IMSB, ETH Hoenggerberg, Zurich</span></div>
<div class="line"><a name="l00047"></a><span class="lineno"> 47</span> <span class="comment">//</span></div>
<div class="line"><a name="l00048"></a><span class="lineno"> 48</span> </div>
<div class="line"><a name="l00049"></a><span class="lineno"> 49</span> <span class="preprocessor">#ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_MSPEAK_H</span></div>
<div class="line"><a name="l00050"></a><span class="lineno"> 50</span> <span class="preprocessor"></span><span class="preprocessor">#define OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_MSPEAK_H</span></div>
<div class="line"><a name="l00051"></a><span class="lineno"> 51</span> <span class="preprocessor"></span></div>
<div class="line"><a name="l00052"></a><span class="lineno"> 52</span> <span class="preprocessor">#include <string></span></div>
<div class="line"><a name="l00053"></a><span class="lineno"> 53</span> <span class="preprocessor">#include <vector></span></div>
<div class="line"><a name="l00054"></a><span class="lineno"> 54</span> <span class="preprocessor">#include <map></span></div>
<div class="line"><a name="l00055"></a><span class="lineno"> 55</span> </div>
<div class="line"><a name="l00056"></a><span class="lineno"> 56</span> <span class="preprocessor">#include <<a class="code" href="Types_8h.html">OpenMS/CONCEPT/Types.h</a>></span></div>
<div class="line"><a name="l00057"></a><span class="lineno"> 57</span> <span class="preprocessor">#include <<a class="code" href="CentroidPeak_8h.html">OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/CentroidPeak.h</a>></span></div>
<div class="line"><a name="l00058"></a><span class="lineno"> 58</span> </div>
<div class="line"><a name="l00059"></a><span class="lineno"> 59</span> <span class="keyword">namespace </span>OpenMS</div>
<div class="line"><a name="l00060"></a><span class="lineno"> 60</span> {</div>
<div class="line"><a name="l00061"></a><span class="lineno"> 61</span> </div>
<div class="line"><a name="l00062"></a><span class="lineno"> 62</span> <span class="comment">//class CentroidPeak; // changed to include</span></div>
<div class="line"><a name="l00063"></a><span class="lineno"> 63</span> </div>
<div class="line"><a name="l00064"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html"> 64</a></span>  <span class="keyword">class </span>OPENMS_DLLAPI <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a></div>
<div class="line"><a name="l00065"></a><span class="lineno"> 65</span>  {</div>
<div class="line"><a name="l00066"></a><span class="lineno"> 66</span> </div>
<div class="line"><a name="l00068"></a><span class="lineno"> 68</span>  <span class="comment">// declaration of the private members:</span></div>
<div class="line"><a name="l00069"></a><span class="lineno"> 69</span> </div>
<div class="line"><a name="l00070"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#ac5b7a45b97e2838a2f716fec5b5debe0"> 70</a></span>  <span class="keywordtype">double</span> <a class="code" href="classOpenMS_1_1MSPeak.html#ac5b7a45b97e2838a2f716fec5b5debe0">precursorMZ</a>;</div>
<div class="line"><a name="l00071"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#ae32eecb05fa303a91f7d743277d76c36"> 71</a></span>  <span class="keywordtype">double</span> <a class="code" href="classOpenMS_1_1MSPeak.html#ae32eecb05fa303a91f7d743277d76c36">MZ</a>;</div>
<div class="line"><a name="l00072"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a8a2401d5f9efd8eb205ef9fd2b195347"> 72</a></span>  <span class="keywordtype">float</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a8a2401d5f9efd8eb205ef9fd2b195347">INTENSITY</a>;</div>
<div class="line"><a name="l00073"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#ae192d8e89fa3e99620a98b6ac66618a0"> 73</a></span>  <span class="keywordtype">int</span> <a class="code" href="classOpenMS_1_1MSPeak.html#ae192d8e89fa3e99620a98b6ac66618a0">SCAN</a>;</div>
<div class="line"><a name="l00074"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#af6d5ab3629ea17ec17a1733f29f8a0d9"> 74</a></span>  <span class="keywordtype">double</span> <a class="code" href="classOpenMS_1_1MSPeak.html#af6d5ab3629ea17ec17a1733f29f8a0d9">TR</a>;</div>
<div class="line"><a name="l00075"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#ab7c23fce012487e34591f962569a3465"> 75</a></span>  <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="classOpenMS_1_1MSPeak.html#ab7c23fce012487e34591f962569a3465">CHRG</a>;</div>
<div class="line"><a name="l00076"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#ae7a726dd283ac73986fdf3e93150f344"> 76</a></span>  <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="classOpenMS_1_1MSPeak.html#ae7a726dd283ac73986fdf3e93150f344">NRISOTOPES</a>;</div>
<div class="line"><a name="l00077"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a0cb250e5a429a7e9cd5078f2433e4f0c"> 77</a></span>  <span class="keywordtype">float</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a0cb250e5a429a7e9cd5078f2433e4f0c">SCORE</a>;</div>
<div class="line"><a name="l00078"></a><span class="lineno"> 78</span> </div>
<div class="line"><a name="l00079"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#ae519519db07bb914941b35b280480867"> 79</a></span>  std::string <a class="code" href="classOpenMS_1_1MSPeak.html#ae519519db07bb914941b35b280480867">extraMSPeakInfo</a>;</div>
<div class="line"><a name="l00080"></a><span class="lineno"> 80</span> </div>
<div class="line"><a name="l00081"></a><span class="lineno"> 81</span>  <span class="comment">// child scan options:</span></div>
<div class="line"><a name="l00082"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a85cc30eb30796cc2250d15a7f7fb67d2"> 82</a></span>  <span class="keywordtype">bool</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a85cc30eb30796cc2250d15a7f7fb67d2">precursorMass</a>;</div>
<div class="line"><a name="l00083"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#ac920b8ff2b61792486deb6ae61d8e667"> 83</a></span>  <span class="keywordtype">int</span> <a class="code" href="classOpenMS_1_1MSPeak.html#ac920b8ff2b61792486deb6ae61d8e667">childScan</a>;</div>
<div class="line"><a name="l00084"></a><span class="lineno"> 84</span> </div>
<div class="line"><a name="l00085"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a2d2e02e5957b3548e0aee6c7782ea2c9"> 85</a></span>  <span class="keywordtype">double</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a2d2e02e5957b3548e0aee6c7782ea2c9">SignalToNoise</a>;</div>
<div class="line"><a name="l00086"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a55656f8c700789956c63f70718e89f60"> 86</a></span>  std::vector<CentroidPeak> <a class="code" href="classOpenMS_1_1MSPeak.html#a55656f8c700789956c63f70718e89f60">ISOPEAKS</a>;</div>
<div class="line"><a name="l00087"></a><span class="lineno"> 87</span> </div>
<div class="line"><a name="l00088"></a><span class="lineno"> 88</span> <span class="keyword">private</span>:</div>
<div class="line"><a name="l00089"></a><span class="lineno"> 89</span> </div>
<div class="line"><a name="l00091"></a><span class="lineno"> 91</span>  <span class="comment">// declaration of the public members:</span></div>
<div class="line"><a name="l00092"></a><span class="lineno"> 92</span> </div>
<div class="line"><a name="l00093"></a><span class="lineno"> 93</span> <span class="keyword">public</span>:</div>
<div class="line"><a name="l00094"></a><span class="lineno"> 94</span> </div>
<div class="line"><a name="l00095"></a><span class="lineno"> 95</span>  <span class="comment">// class destructor</span></div>
<div class="line"><a name="l00096"></a><span class="lineno"> 96</span>  ~<a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a>();</div>
<div class="line"><a name="l00097"></a><span class="lineno"> 97</span> </div>
<div class="line"><a name="l00098"></a><span class="lineno"> 98</span>  <span class="comment">// class constructor</span></div>
<div class="line"><a name="l00099"></a><span class="lineno"> 99</span>  <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a>(<span class="keywordtype">int</span>, <span class="keywordtype">double</span>, <span class="keywordtype">float</span>);</div>
<div class="line"><a name="l00100"></a><span class="lineno"> 100</span>  <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a>();</div>
<div class="line"><a name="l00101"></a><span class="lineno"> 101</span>  <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a>(<span class="keywordtype">int</span>, <span class="keywordtype">double</span>, <span class="keywordtype">float</span>, <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span>, <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span>, <span class="keywordtype">float</span>, std::vector<CentroidPeak>);</div>
<div class="line"><a name="l00102"></a><span class="lineno"> 102</span>  <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a>(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a> &);</div>
<div class="line"><a name="l00103"></a><span class="lineno"> 103</span>  <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a>(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a> *);</div>
<div class="line"><a name="l00104"></a><span class="lineno"> 104</span> </div>
<div class="line"><a name="l00106"></a><span class="lineno"> 106</span>  <span class="comment">// overload operators:</span></div>
<div class="line"><a name="l00107"></a><span class="lineno"> 107</span>  <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a> & operator=(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a> &);</div>
<div class="line"><a name="l00108"></a><span class="lineno"> 108</span>  <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a> & operator<=(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a> &);</div>
<div class="line"><a name="l00109"></a><span class="lineno"> 109</span>  <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a> & operator>=(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a> &);</div>
<div class="line"><a name="l00110"></a><span class="lineno"> 110</span>  <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a> & operator<(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a> &);</div>
<div class="line"><a name="l00111"></a><span class="lineno"> 111</span>  <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a> & operator>(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1MSPeak.html">MSPeak</a> &);</div>
<div class="line"><a name="l00112"></a><span class="lineno"> 112</span> </div>
<div class="line"><a name="l00113"></a><span class="lineno"> 113</span>  <span class="comment">// show content of peak:</span></div>
<div class="line"><a name="l00114"></a><span class="lineno"> 114</span>  <span class="keywordtype">void</span> show_info();</div>
<div class="line"><a name="l00115"></a><span class="lineno"> 115</span> </div>
<div class="line"><a name="l00116"></a><span class="lineno"> 116</span>  <span class="comment">// store the MS/MS scan number and activate this peak as precursor peak:</span></div>
<div class="line"><a name="l00117"></a><span class="lineno"> 117</span>  <span class="keywordtype">void</span> activateAsPrecursorPeak(<span class="keywordtype">int</span>);</div>
<div class="line"><a name="l00118"></a><span class="lineno"> 118</span> </div>
<div class="line"><a name="l00120"></a><span class="lineno"> 120</span>  <span class="comment">// check if the input mass matches one of the isotopic masses</span></div>
<div class="line"><a name="l00121"></a><span class="lineno"> 121</span>  <span class="keywordtype">bool</span> checkIsotopeBelongingAndAdjustMass(<span class="keywordtype">double</span>, <span class="keywordtype">double</span>);</div>
<div class="line"><a name="l00122"></a><span class="lineno"> 122</span> </div>
<div class="line"><a name="l00124"></a><span class="lineno"> 124</span>  <span class="comment">// start here all the get / set</span></div>
<div class="line"><a name="l00125"></a><span class="lineno"> 125</span>  <span class="comment">// function to access the</span></div>
<div class="line"><a name="l00126"></a><span class="lineno"> 126</span>  <span class="comment">// variables of the class</span></div>
<div class="line"><a name="l00127"></a><span class="lineno"> 127</span> </div>
<div class="line"><a name="l00128"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a26812f15cd9dfec9e72e6114d016431b"> 128</a></span>  std::vector<CentroidPeak> & <a class="code" href="classOpenMS_1_1MSPeak.html#a26812f15cd9dfec9e72e6114d016431b">get_isotopic_peaks</a>()</div>
<div class="line"><a name="l00129"></a><span class="lineno"> 129</span>  {</div>
<div class="line"><a name="l00130"></a><span class="lineno"> 130</span>  <span class="keywordflow">return</span> ISOPEAKS;</div>
<div class="line"><a name="l00131"></a><span class="lineno"> 131</span>  }</div>
<div class="line"><a name="l00132"></a><span class="lineno"> 132</span> </div>
<div class="line"><a name="l00133"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#ab309ac726b7b9277c21b5d1280a28911"> 133</a></span>  std::vector<CentroidPeak>::iterator <a class="code" href="classOpenMS_1_1MSPeak.html#ab309ac726b7b9277c21b5d1280a28911">get_isotopic_peaks_start</a>()</div>
<div class="line"><a name="l00134"></a><span class="lineno"> 134</span>  {</div>
<div class="line"><a name="l00135"></a><span class="lineno"> 135</span>  <span class="keywordflow">return</span> ISOPEAKS.begin();</div>
<div class="line"><a name="l00136"></a><span class="lineno"> 136</span>  }</div>
<div class="line"><a name="l00137"></a><span class="lineno"> 137</span> </div>
<div class="line"><a name="l00138"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a535a71bcff8041e52b783cd2c5c2a8dd"> 138</a></span>  std::vector<CentroidPeak>::iterator <a class="code" href="classOpenMS_1_1MSPeak.html#a535a71bcff8041e52b783cd2c5c2a8dd">get_isotopic_peaks_end</a>()</div>
<div class="line"><a name="l00139"></a><span class="lineno"> 139</span>  {</div>
<div class="line"><a name="l00140"></a><span class="lineno"> 140</span>  <span class="keywordflow">return</span> ISOPEAKS.end();</div>
<div class="line"><a name="l00141"></a><span class="lineno"> 141</span>  }</div>
<div class="line"><a name="l00142"></a><span class="lineno"> 142</span> </div>
<div class="line"><a name="l00143"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a5f2cda03b015772b6dc779a7bc8b3fed"> 143</a></span>  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a5f2cda03b015772b6dc779a7bc8b3fed">setExtraPeakInfo</a>(std::string in)</div>
<div class="line"><a name="l00144"></a><span class="lineno"> 144</span>  {</div>
<div class="line"><a name="l00145"></a><span class="lineno"> 145</span>  extraMSPeakInfo = in;</div>
<div class="line"><a name="l00146"></a><span class="lineno"> 146</span>  }</div>
<div class="line"><a name="l00147"></a><span class="lineno"> 147</span> </div>
<div class="line"><a name="l00148"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#aab875f3a9ef4864d02a8f690a8746724"> 148</a></span>  std::string <a class="code" href="classOpenMS_1_1MSPeak.html#aab875f3a9ef4864d02a8f690a8746724">getExtraPeakInfo</a>()</div>
<div class="line"><a name="l00149"></a><span class="lineno"> 149</span>  {</div>
<div class="line"><a name="l00150"></a><span class="lineno"> 150</span>  <span class="keywordflow">return</span> extraMSPeakInfo;</div>
<div class="line"><a name="l00151"></a><span class="lineno"> 151</span>  }</div>
<div class="line"><a name="l00152"></a><span class="lineno"> 152</span> </div>
<div class="line"><a name="l00153"></a><span class="lineno"> 153</span>  <span class="comment">// precursor mass of the ms2 scane:</span></div>
<div class="line"><a name="l00154"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a28addad3734bcf15bf2744f5f424a36c"> 154</a></span>  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a28addad3734bcf15bf2744f5f424a36c">setPrecursorMZ</a>(<span class="keywordtype">double</span> in)</div>
<div class="line"><a name="l00155"></a><span class="lineno"> 155</span>  {</div>
<div class="line"><a name="l00156"></a><span class="lineno"> 156</span>  precursorMZ = in;</div>
<div class="line"><a name="l00157"></a><span class="lineno"> 157</span>  }</div>
<div class="line"><a name="l00158"></a><span class="lineno"> 158</span> </div>
<div class="line"><a name="l00159"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#af454969bce509d6ccbead8d122e3275f"> 159</a></span>  <span class="keywordtype">double</span> <a class="code" href="classOpenMS_1_1MSPeak.html#af454969bce509d6ccbead8d122e3275f">getPrecursorMZ</a>()</div>
<div class="line"><a name="l00160"></a><span class="lineno"> 160</span>  {</div>
<div class="line"><a name="l00161"></a><span class="lineno"> 161</span>  <span class="keywordflow">return</span> precursorMZ;</div>
<div class="line"><a name="l00162"></a><span class="lineno"> 162</span>  }</div>
<div class="line"><a name="l00163"></a><span class="lineno"> 163</span> </div>
<div class="line"><a name="l00164"></a><span class="lineno"> 164</span>  <span class="comment">// precursor mass charge state:</span></div>
<div class="line"><a name="l00165"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a91c02844594d373dc0f7470bccfde596"> 165</a></span>  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a91c02844594d373dc0f7470bccfde596">setPrecursorCHRG</a>(<span class="keywordtype">int</span> in)</div>
<div class="line"><a name="l00166"></a><span class="lineno"> 166</span>  {</div>
<div class="line"><a name="l00167"></a><span class="lineno"> 167</span>  CHRG = in;</div>
<div class="line"><a name="l00168"></a><span class="lineno"> 168</span>  }</div>
<div class="line"><a name="l00169"></a><span class="lineno"> 169</span> </div>
<div class="line"><a name="l00170"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a5fea4977a4d998e56a963728b3a8343a"> 170</a></span>  <span class="keywordtype">int</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a5fea4977a4d998e56a963728b3a8343a">getPrecursorCHRG</a>()</div>
<div class="line"><a name="l00171"></a><span class="lineno"> 171</span>  {</div>
<div class="line"><a name="l00172"></a><span class="lineno"> 172</span>  <span class="keywordflow">return</span> CHRG;</div>
<div class="line"><a name="l00173"></a><span class="lineno"> 173</span>  }</div>
<div class="line"><a name="l00174"></a><span class="lineno"> 174</span> </div>
<div class="line"><a name="l00175"></a><span class="lineno"> 175</span>  <span class="comment">// check if this peak has been determined as precursor:</span></div>
<div class="line"><a name="l00176"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a8c858eb9f3f13be01d11d26f49d60909"> 176</a></span>  <span class="keywordtype">bool</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a8c858eb9f3f13be01d11d26f49d60909">getPrecursorActivation</a>()</div>
<div class="line"><a name="l00177"></a><span class="lineno"> 177</span>  {</div>
<div class="line"><a name="l00178"></a><span class="lineno"> 178</span>  <span class="keywordflow">return</span> precursorMass;</div>
<div class="line"><a name="l00179"></a><span class="lineno"> 179</span>  }</div>
<div class="line"><a name="l00180"></a><span class="lineno"> 180</span> </div>
<div class="line"><a name="l00181"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a06dbb27d37032e9613723ca86d94d57e"> 181</a></span>  <span class="keywordtype">int</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a06dbb27d37032e9613723ca86d94d57e">get_Chrg</a>()</div>
<div class="line"><a name="l00182"></a><span class="lineno"> 182</span>  {</div>
<div class="line"><a name="l00183"></a><span class="lineno"> 183</span>  <span class="keywordflow">return</span> CHRG;</div>
<div class="line"><a name="l00184"></a><span class="lineno"> 184</span>  }</div>
<div class="line"><a name="l00185"></a><span class="lineno"> 185</span> </div>
<div class="line"><a name="l00186"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a5b791d077b57e5a3f643e498480bcc3f"> 186</a></span>  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a5b791d077b57e5a3f643e498480bcc3f">set_Chrg</a>(<span class="keywordtype">int</span> z)</div>
<div class="line"><a name="l00187"></a><span class="lineno"> 187</span>  {</div>
<div class="line"><a name="l00188"></a><span class="lineno"> 188</span>  CHRG = z;</div>
<div class="line"><a name="l00189"></a><span class="lineno"> 189</span>  }</div>
<div class="line"><a name="l00190"></a><span class="lineno"> 190</span> </div>
<div class="line"><a name="l00191"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a499dc7c50b5fbe445268c716e837c2bf"> 191</a></span>  <span class="keywordtype">int</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a499dc7c50b5fbe445268c716e837c2bf">get_Scan</a>()</div>
<div class="line"><a name="l00192"></a><span class="lineno"> 192</span>  {</div>
<div class="line"><a name="l00193"></a><span class="lineno"> 193</span>  <span class="keywordflow">return</span> SCAN;</div>
<div class="line"><a name="l00194"></a><span class="lineno"> 194</span>  }</div>
<div class="line"><a name="l00195"></a><span class="lineno"> 195</span> </div>
<div class="line"><a name="l00196"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#aefe655ee87c8e52642e4d1d225a69d4d"> 196</a></span>  <span class="keywordtype">float</span> <a class="code" href="classOpenMS_1_1MSPeak.html#aefe655ee87c8e52642e4d1d225a69d4d">get_intensity</a>()</div>
<div class="line"><a name="l00197"></a><span class="lineno"> 197</span>  {</div>
<div class="line"><a name="l00198"></a><span class="lineno"> 198</span>  <span class="keywordflow">return</span> INTENSITY;</div>
<div class="line"><a name="l00199"></a><span class="lineno"> 199</span>  }</div>
<div class="line"><a name="l00200"></a><span class="lineno"> 200</span> </div>
<div class="line"><a name="l00201"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a6e33f15077fbd54ec8ee091fe49fde76"> 201</a></span>  <span class="keywordtype">double</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a6e33f15077fbd54ec8ee091fe49fde76">get_MZ</a>()</div>
<div class="line"><a name="l00202"></a><span class="lineno"> 202</span>  {</div>
<div class="line"><a name="l00203"></a><span class="lineno"> 203</span>  <span class="keywordflow">return</span> MZ;</div>
<div class="line"><a name="l00204"></a><span class="lineno"> 204</span>  }</div>
<div class="line"><a name="l00205"></a><span class="lineno"> 205</span> </div>
<div class="line"><a name="l00206"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a18c68cf2f6880ce89d27ea32fbc38372"> 206</a></span>  <span class="keywordtype">int</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a18c68cf2f6880ce89d27ea32fbc38372">get_scan_number</a>()</div>
<div class="line"><a name="l00207"></a><span class="lineno"> 207</span>  {</div>
<div class="line"><a name="l00208"></a><span class="lineno"> 208</span>  <span class="keywordflow">return</span> SCAN;</div>
<div class="line"><a name="l00209"></a><span class="lineno"> 209</span>  }</div>
<div class="line"><a name="l00210"></a><span class="lineno"> 210</span> </div>
<div class="line"><a name="l00211"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a20f37f1701425aa459d6e94ed4021b7c"> 211</a></span>  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a20f37f1701425aa459d6e94ed4021b7c">set_retention_time</a>(<span class="keywordtype">double</span> IN)</div>
<div class="line"><a name="l00212"></a><span class="lineno"> 212</span>  {</div>
<div class="line"><a name="l00213"></a><span class="lineno"> 213</span>  TR = IN;</div>
<div class="line"><a name="l00214"></a><span class="lineno"> 214</span>  }</div>
<div class="line"><a name="l00215"></a><span class="lineno"> 215</span> </div>
<div class="line"><a name="l00216"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a8c0542399672c48cbb5483e9677787be"> 216</a></span>  <span class="keywordtype">double</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a8c0542399672c48cbb5483e9677787be">get_retention_time</a>()</div>
<div class="line"><a name="l00217"></a><span class="lineno"> 217</span>  {</div>
<div class="line"><a name="l00218"></a><span class="lineno"> 218</span>  <span class="keywordflow">return</span> TR;</div>
<div class="line"><a name="l00219"></a><span class="lineno"> 219</span>  }</div>
<div class="line"><a name="l00220"></a><span class="lineno"> 220</span> </div>
<div class="line"><a name="l00221"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a56d6a680a88ac07ad6e23417cfbebb6f"> 221</a></span>  <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a56d6a680a88ac07ad6e23417cfbebb6f">get_charge_state</a>()</div>
<div class="line"><a name="l00222"></a><span class="lineno"> 222</span>  {</div>
<div class="line"><a name="l00223"></a><span class="lineno"> 223</span>  <span class="keywordflow">return</span> CHRG;</div>
<div class="line"><a name="l00224"></a><span class="lineno"> 224</span>  }</div>
<div class="line"><a name="l00225"></a><span class="lineno"> 225</span> </div>
<div class="line"><a name="l00226"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#aea6f85ca525eb9b86fc775170cdf5c52"> 226</a></span>  <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="classOpenMS_1_1MSPeak.html#aea6f85ca525eb9b86fc775170cdf5c52">get_nr_isotopes</a>()</div>
<div class="line"><a name="l00227"></a><span class="lineno"> 227</span>  {</div>
<div class="line"><a name="l00228"></a><span class="lineno"> 228</span>  <span class="keywordflow">return</span> NRISOTOPES;</div>
<div class="line"><a name="l00229"></a><span class="lineno"> 229</span>  }</div>
<div class="line"><a name="l00230"></a><span class="lineno"> 230</span> </div>
<div class="line"><a name="l00231"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a44abf329d5f0325ebd073cc294184421"> 231</a></span>  <span class="keywordtype">float</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a44abf329d5f0325ebd073cc294184421">get_score</a>()</div>
<div class="line"><a name="l00232"></a><span class="lineno"> 232</span>  {</div>
<div class="line"><a name="l00233"></a><span class="lineno"> 233</span>  <span class="keywordflow">return</span> SCORE;</div>
<div class="line"><a name="l00234"></a><span class="lineno"> 234</span>  }</div>
<div class="line"><a name="l00235"></a><span class="lineno"> 235</span> </div>
<div class="line"><a name="l00236"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a4bb41c31d39852daaa13eb35f5f04b23"> 236</a></span>  <span class="keywordtype">double</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a4bb41c31d39852daaa13eb35f5f04b23">getSignalToNoise</a>()</div>
<div class="line"><a name="l00237"></a><span class="lineno"> 237</span>  {</div>
<div class="line"><a name="l00238"></a><span class="lineno"> 238</span>  <span class="keywordflow">return</span> SignalToNoise;</div>
<div class="line"><a name="l00239"></a><span class="lineno"> 239</span>  }</div>
<div class="line"><a name="l00240"></a><span class="lineno"> 240</span> </div>
<div class="line"><a name="l00241"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MSPeak.html#a2bc85b81fcc094bb64aa370e659293fa"> 241</a></span>  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1MSPeak.html#a2bc85b81fcc094bb64aa370e659293fa">setSignalToNoise</a>(<span class="keywordtype">double</span> in)</div>
<div class="line"><a name="l00242"></a><span class="lineno"> 242</span>  {</div>
<div class="line"><a name="l00243"></a><span class="lineno"> 243</span>  SignalToNoise = in;</div>
<div class="line"><a name="l00244"></a><span class="lineno"> 244</span>  }</div>
<div class="line"><a name="l00245"></a><span class="lineno"> 245</span> </div>
<div class="line"><a name="l00246"></a><span class="lineno"> 246</span>  };</div>
<div class="line"><a name="l00247"></a><span class="lineno"> 247</span> </div>
<div class="line"><a name="l00248"></a><span class="lineno"> 248</span> } <span class="comment">// ns</span></div>
<div class="line"><a name="l00249"></a><span class="lineno"> 249</span> </div>
<div class="line"><a name="l00250"></a><span class="lineno"> 250</span> <span class="preprocessor">#endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_MSPEAK_H</span></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a26812f15cd9dfec9e72e6114d016431b"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a26812f15cd9dfec9e72e6114d016431b">OpenMS::MSPeak::get_isotopic_peaks</a></div><div class="ttdeci">std::vector< CentroidPeak > & get_isotopic_peaks()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:128</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a18c68cf2f6880ce89d27ea32fbc38372"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a18c68cf2f6880ce89d27ea32fbc38372">OpenMS::MSPeak::get_scan_number</a></div><div class="ttdeci">int get_scan_number()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:206</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_ac5b7a45b97e2838a2f716fec5b5debe0"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#ac5b7a45b97e2838a2f716fec5b5debe0">OpenMS::MSPeak::precursorMZ</a></div><div class="ttdeci">double precursorMZ</div><div class="ttdef"><b>Definition:</b> MSPeak.h:70</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_ae32eecb05fa303a91f7d743277d76c36"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#ae32eecb05fa303a91f7d743277d76c36">OpenMS::MSPeak::MZ</a></div><div class="ttdeci">double MZ</div><div class="ttdef"><b>Definition:</b> MSPeak.h:71</div></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="classOpenMS_1_1MSPeak_html_ae192d8e89fa3e99620a98b6ac66618a0"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#ae192d8e89fa3e99620a98b6ac66618a0">OpenMS::MSPeak::SCAN</a></div><div class="ttdeci">int SCAN</div><div class="ttdef"><b>Definition:</b> MSPeak.h:73</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a5f2cda03b015772b6dc779a7bc8b3fed"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a5f2cda03b015772b6dc779a7bc8b3fed">OpenMS::MSPeak::setExtraPeakInfo</a></div><div class="ttdeci">void setExtraPeakInfo(std::string in)</div><div class="ttdef"><b>Definition:</b> MSPeak.h:143</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a91c02844594d373dc0f7470bccfde596"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a91c02844594d373dc0f7470bccfde596">OpenMS::MSPeak::setPrecursorCHRG</a></div><div class="ttdeci">void setPrecursorCHRG(int in)</div><div class="ttdef"><b>Definition:</b> MSPeak.h:165</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_ac920b8ff2b61792486deb6ae61d8e667"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#ac920b8ff2b61792486deb6ae61d8e667">OpenMS::MSPeak::childScan</a></div><div class="ttdeci">int childScan</div><div class="ttdef"><b>Definition:</b> MSPeak.h:83</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a5b791d077b57e5a3f643e498480bcc3f"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a5b791d077b57e5a3f643e498480bcc3f">OpenMS::MSPeak::set_Chrg</a></div><div class="ttdeci">void set_Chrg(int z)</div><div class="ttdef"><b>Definition:</b> MSPeak.h:186</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a28addad3734bcf15bf2744f5f424a36c"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a28addad3734bcf15bf2744f5f424a36c">OpenMS::MSPeak::setPrecursorMZ</a></div><div class="ttdeci">void setPrecursorMZ(double in)</div><div class="ttdef"><b>Definition:</b> MSPeak.h:154</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a6e33f15077fbd54ec8ee091fe49fde76"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a6e33f15077fbd54ec8ee091fe49fde76">OpenMS::MSPeak::get_MZ</a></div><div class="ttdeci">double get_MZ()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:201</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a2d2e02e5957b3548e0aee6c7782ea2c9"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a2d2e02e5957b3548e0aee6c7782ea2c9">OpenMS::MSPeak::SignalToNoise</a></div><div class="ttdeci">double SignalToNoise</div><div class="ttdef"><b>Definition:</b> MSPeak.h:85</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a44abf329d5f0325ebd073cc294184421"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a44abf329d5f0325ebd073cc294184421">OpenMS::MSPeak::get_score</a></div><div class="ttdeci">float get_score()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:231</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a5fea4977a4d998e56a963728b3a8343a"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a5fea4977a4d998e56a963728b3a8343a">OpenMS::MSPeak::getPrecursorCHRG</a></div><div class="ttdeci">int getPrecursorCHRG()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:170</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a8a2401d5f9efd8eb205ef9fd2b195347"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a8a2401d5f9efd8eb205ef9fd2b195347">OpenMS::MSPeak::INTENSITY</a></div><div class="ttdeci">float INTENSITY</div><div class="ttdef"><b>Definition:</b> MSPeak.h:72</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a499dc7c50b5fbe445268c716e837c2bf"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a499dc7c50b5fbe445268c716e837c2bf">OpenMS::MSPeak::get_Scan</a></div><div class="ttdeci">int get_Scan()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:191</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a06dbb27d37032e9613723ca86d94d57e"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a06dbb27d37032e9613723ca86d94d57e">OpenMS::MSPeak::get_Chrg</a></div><div class="ttdeci">int get_Chrg()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:181</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a20f37f1701425aa459d6e94ed4021b7c"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a20f37f1701425aa459d6e94ed4021b7c">OpenMS::MSPeak::set_retention_time</a></div><div class="ttdeci">void set_retention_time(double IN)</div><div class="ttdef"><b>Definition:</b> MSPeak.h:211</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a8c0542399672c48cbb5483e9677787be"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a8c0542399672c48cbb5483e9677787be">OpenMS::MSPeak::get_retention_time</a></div><div class="ttdeci">double get_retention_time()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:216</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a0cb250e5a429a7e9cd5078f2433e4f0c"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a0cb250e5a429a7e9cd5078f2433e4f0c">OpenMS::MSPeak::SCORE</a></div><div class="ttdeci">float SCORE</div><div class="ttdef"><b>Definition:</b> MSPeak.h:77</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_ab309ac726b7b9277c21b5d1280a28911"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#ab309ac726b7b9277c21b5d1280a28911">OpenMS::MSPeak::get_isotopic_peaks_start</a></div><div class="ttdeci">std::vector< CentroidPeak >::iterator get_isotopic_peaks_start()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:133</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a535a71bcff8041e52b783cd2c5c2a8dd"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a535a71bcff8041e52b783cd2c5c2a8dd">OpenMS::MSPeak::get_isotopic_peaks_end</a></div><div class="ttdeci">std::vector< CentroidPeak >::iterator get_isotopic_peaks_end()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:138</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a56d6a680a88ac07ad6e23417cfbebb6f"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a56d6a680a88ac07ad6e23417cfbebb6f">OpenMS::MSPeak::get_charge_state</a></div><div class="ttdeci">unsigned int get_charge_state()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:221</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a4bb41c31d39852daaa13eb35f5f04b23"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a4bb41c31d39852daaa13eb35f5f04b23">OpenMS::MSPeak::getSignalToNoise</a></div><div class="ttdeci">double getSignalToNoise()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:236</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_aab875f3a9ef4864d02a8f690a8746724"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#aab875f3a9ef4864d02a8f690a8746724">OpenMS::MSPeak::getExtraPeakInfo</a></div><div class="ttdeci">std::string getExtraPeakInfo()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:148</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_ae7a726dd283ac73986fdf3e93150f344"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#ae7a726dd283ac73986fdf3e93150f344">OpenMS::MSPeak::NRISOTOPES</a></div><div class="ttdeci">unsigned int NRISOTOPES</div><div class="ttdef"><b>Definition:</b> MSPeak.h:76</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a2bc85b81fcc094bb64aa370e659293fa"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a2bc85b81fcc094bb64aa370e659293fa">OpenMS::MSPeak::setSignalToNoise</a></div><div class="ttdeci">void setSignalToNoise(double in)</div><div class="ttdef"><b>Definition:</b> MSPeak.h:241</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a85cc30eb30796cc2250d15a7f7fb67d2"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a85cc30eb30796cc2250d15a7f7fb67d2">OpenMS::MSPeak::precursorMass</a></div><div class="ttdeci">bool precursorMass</div><div class="ttdef"><b>Definition:</b> MSPeak.h:82</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_ab7c23fce012487e34591f962569a3465"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#ab7c23fce012487e34591f962569a3465">OpenMS::MSPeak::CHRG</a></div><div class="ttdeci">unsigned int CHRG</div><div class="ttdef"><b>Definition:</b> MSPeak.h:75</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_af454969bce509d6ccbead8d122e3275f"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#af454969bce509d6ccbead8d122e3275f">OpenMS::MSPeak::getPrecursorMZ</a></div><div class="ttdeci">double getPrecursorMZ()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:159</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html">OpenMS::MSPeak</a></div><div class="ttdef"><b>Definition:</b> MSPeak.h:64</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_ae519519db07bb914941b35b280480867"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#ae519519db07bb914941b35b280480867">OpenMS::MSPeak::extraMSPeakInfo</a></div><div class="ttdeci">std::string extraMSPeakInfo</div><div class="ttdef"><b>Definition:</b> MSPeak.h:79</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_aefe655ee87c8e52642e4d1d225a69d4d"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#aefe655ee87c8e52642e4d1d225a69d4d">OpenMS::MSPeak::get_intensity</a></div><div class="ttdeci">float get_intensity()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:196</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_aea6f85ca525eb9b86fc775170cdf5c52"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#aea6f85ca525eb9b86fc775170cdf5c52">OpenMS::MSPeak::get_nr_isotopes</a></div><div class="ttdeci">unsigned int get_nr_isotopes()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:226</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a55656f8c700789956c63f70718e89f60"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a55656f8c700789956c63f70718e89f60">OpenMS::MSPeak::ISOPEAKS</a></div><div class="ttdeci">std::vector< CentroidPeak > ISOPEAKS</div><div class="ttdef"><b>Definition:</b> MSPeak.h:86</div></div>
<div class="ttc" id="CentroidPeak_8h_html"><div class="ttname"><a href="CentroidPeak_8h.html">CentroidPeak.h</a></div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_a8c858eb9f3f13be01d11d26f49d60909"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#a8c858eb9f3f13be01d11d26f49d60909">OpenMS::MSPeak::getPrecursorActivation</a></div><div class="ttdeci">bool getPrecursorActivation()</div><div class="ttdef"><b>Definition:</b> MSPeak.h:176</div></div>
<div class="ttc" id="classOpenMS_1_1MSPeak_html_af6d5ab3629ea17ec17a1733f29f8a0d9"><div class="ttname"><a href="classOpenMS_1_1MSPeak.html#af6d5ab3629ea17ec17a1733f29f8a0d9">OpenMS::MSPeak::TR</a></div><div class="ttdeci">double TR</div><div class="ttdef"><b>Definition:</b> MSPeak.h:74</div></div>
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<TD><font color="#c0c0c0">OpenMS / TOPP release 1.11.1</font></TD>
<TD align="right"><font color="#c0c0c0">Documentation generated on Thu Nov 14 2013 11:19:18 using doxygen 1.8.5</font></TD>
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