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IsobaricNormalizer.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: Timo Sachsenberg $
6// $Authors: Stephan Aiche, Chris Bielow $
7// --------------------------------------------------------------------------
8
9#pragma once
10
16
17#include <map>
18
19namespace OpenMS
20{
21 class IsobaricQuantitationMethod;
22 class ConsensusMap;
23
27 class OPENMS_DLLAPI IsobaricNormalizer
28 {
29public:
31 explicit IsobaricNormalizer(const IsobaricQuantitationMethod* const quant_method);
32
35
38
44 void normalize(ConsensusMap& consensus_map);
45
46private:
49
52
60 ConsensusFeature::HandleSetType::iterator findReferenceChannel_(ConsensusFeature& cf, const ConsensusMap& consensus_map) const;
61
67 void buildVectorIndex_(const ConsensusMap& consensus_map);
68
76 const Peak2D::IntensityType& ref_intensity);
77
83 void computeNormalizationFactors_(std::vector<Peak2D::IntensityType>& normalization_factors);
84
86 std::map<Size, Size> map_to_vec_index_;
87
90
92 std::vector<std::vector<Peak2D::IntensityType> > peptide_ratios_;
93
95 std::vector<std::vector<Peak2D::IntensityType> > peptide_intensities_;
96
97 };
98} // namespace
99
A consensus feature spanning multiple LC-MS/MS experiments.
Definition ConsensusFeature.h:45
A container for consensus elements.
Definition ConsensusMap.h:68
Performs median normalization on the extracted ratios of isobaric labeling experiment.
Definition IsobaricNormalizer.h:28
void buildVectorIndex_(const ConsensusMap &consensus_map)
Constructs a mapping from file description to the index in the corresponding ratio/intensity vectors.
void collectRatios_(const ConsensusFeature &cf, const Peak2D::IntensityType &ref_intensity)
Collects ratios and intensities for a given ConsensusFeature.
IsobaricNormalizer & operator=(const IsobaricNormalizer &rhs)
Assignment operator.
String reference_channel_name_
The name of the reference channel as given in the IsobaricChannelInformation.
Definition IsobaricNormalizer.h:51
void computeNormalizationFactors_(std::vector< Peak2D::IntensityType > &normalization_factors)
Computes the normalization factors from the given peptide ratios.
ConsensusFeature::HandleSetType::iterator findReferenceChannel_(ConsensusFeature &cf, const ConsensusMap &consensus_map) const
Given a ConsensusFeature the method will return an iterator pointing to the consensus element represe...
void normalize(ConsensusMap &consensus_map)
Normalizes the intensity ratios in the given input map (using median).
Size ref_map_id_
The index of the reference channel in the peptide ratio/intensity vectors.
Definition IsobaricNormalizer.h:89
std::vector< std::vector< Peak2D::IntensityType > > peptide_ratios_
Collection containing the collected peptide ratios for the individual channels.
Definition IsobaricNormalizer.h:92
IsobaricNormalizer(const IsobaricNormalizer &other)
Copy c'tor.
IsobaricNormalizer(const IsobaricQuantitationMethod *const quant_method)
Default c'tor.
std::vector< std::vector< Peak2D::IntensityType > > peptide_intensities_
Collection containing the collected peptide intensities for the individual channels.
Definition IsobaricNormalizer.h:95
std::map< Size, Size > map_to_vec_index_
The mapping between map indices and the corresponding indices in the peptide ratio/intensity vectors.
Definition IsobaricNormalizer.h:86
const IsobaricQuantitationMethod * quant_meth_
The selected quantitation method that will be used for the normalization.
Definition IsobaricNormalizer.h:48
Abstract base class describing an isobaric quantitation method in terms of the used channels and an i...
Definition IsobaricQuantitationMethod.h:32
float IntensityType
Intensity type.
Definition Peak2D.h:37
A more convenient string class.
Definition String.h:34
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition Types.h:97
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19