OpenMS
Qvalue.h
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1 // Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
2 // SPDX-License-Identifier: BSD-3-Clause
3 //
4 // --------------------------------------------------------------------------
5 // $Maintainer: Kyowon Jeong $
6 // $Authors: Kyowon Jeong $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
13 #include <OpenMS/KERNEL/Peak1D.h>
14 
15 
16 namespace OpenMS
17 {
18  class PeakGroup;
19 
25  class OPENMS_DLLAPI Qvalue
26  {
27  public:
29 
33  void static updatePeakGroupQvalues(std::vector<DeconvolvedSpectrum>& deconvolved_spectra, std::vector<DeconvolvedSpectrum>& deconvolved_decoy_spectra);
34 
35  private:
37  static uint getBinNumber(float qscore, uint total_bin_number);
39  static float getBinValue(uint bin_number, uint total_bin_number);
41  static std::vector<float> getDistribution(const std::vector<float>& qscores, uint bin_number);
43  static std::vector<float> getDistributionWeights(const std::vector<float>& mixed_dist, const std::vector<std::vector<float>>& comp_dists, uint num_iterations = 100);
44  };
45 } // namespace OpenMS
log transformed peak. After deconvolution, all necessary information from deconvolution such as charg...
Definition: FLASHDeconvHelperStructs.h:139
Qvalue : contains functions to calculate Qvalues from deconvolution quality score.
Definition: Qvalue.h:26
static std::vector< float > getDistributionWeights(const std::vector< float > &mixed_dist, const std::vector< std::vector< float >> &comp_dists, uint num_iterations=100)
get the weights of different dummy types.
FLASHDeconvHelperStructs::LogMzPeak LogMzPeak
Definition: Qvalue.h:28
static float getBinValue(uint bin_number, uint total_bin_number)
get the qvalue corresponding to a bin number
static uint getBinNumber(float qscore, uint total_bin_number)
get a bin number given qvalue. qvalue is calculated per bin (bin from 0 to 1).
static std::vector< float > getDistribution(const std::vector< float > &qscores, uint bin_number)
get the Qscore distribution
static void updatePeakGroupQvalues(std::vector< DeconvolvedSpectrum > &deconvolved_spectra, std::vector< DeconvolvedSpectrum > &deconvolved_decoy_spectra)
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19