OpenMS
Qscore.h
Go to the documentation of this file.
1 //--------------------------------------------------------------------------
2 // OpenMS -- Open-Source Mass Spectrometry
3 // --------------------------------------------------------------------------
4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2023.
6 //
7 // This software is released under a three-clause BSD license:
8 // * Redistributions of source code must retain the above copyright
9 // notice, this list of conditions and the following disclaimer.
10 // * Redistributions in binary form must reproduce the above copyright
11 // notice, this list of conditions and the following disclaimer in the
12 // documentation and/or other materials provided with the distribution.
13 // * Neither the name of any author or any participating institution
14 // may be used to endorse or promote products derived from this software
15 // without specific prior written permission.
16 // For a full list of authors, refer to the file AUTHORS.
17 // --------------------------------------------------------------------------
18 // THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
19 // AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
20 // IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
21 // ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
22 // INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
23 // EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
24 // PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
25 // OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
26 // WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
27 // OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
28 // ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
29 //
30 // --------------------------------------------------------------------------
31 // $Maintainer: Kyowon Jeong $
32 // $Authors: Kyowon Jeong $
33 // --------------------------------------------------------------------------
34 
35 #pragma once
36 
39 #include <OpenMS/KERNEL/Peak1D.h>
41 
42 
43 namespace OpenMS
44 {
45  class PeakGroup;
46 
57  class OPENMS_DLLAPI Qscore
58  {
59  public:
61 
63  static float getQscore(const PeakGroup* pg);
64 
65  private:
67  static std::vector<double> toFeatureVector_(const PeakGroup* pg);
68  };
69 } // namespace OpenMS
log transformed peak. After deconvolution, all necessary information from deconvolution such as charg...
Definition: FLASHDeconvHelperStructs.h:165
Class describing a deconvolved mass. A mass contains multiple (LogMz) peaks of different charges and ...
Definition: PeakGroup.h:52
Qscore : quality score for PeakGroup. This class is being updated. For now, simply it calculate the Q...
Definition: Qscore.h:58
FLASHDeconvHelperStructs::LogMzPeak LogMzPeak
Definition: Qscore.h:60
static std::vector< double > toFeatureVector_(const PeakGroup *pg)
convert a peak group to a feature vector for Qscore calculation
static float getQscore(const PeakGroup *pg)
get QScore for a peak group of specific abs_charge
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48