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IsobaricQuantifier.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
13
14namespace OpenMS
15{
16 class IsobaricQuantitationMethod;
17 class ConsensusMap;
18
25 class OPENMS_DLLAPI IsobaricQuantifier :
27 {
28public:
34 explicit IsobaricQuantifier(const IsobaricQuantitationMethod* const quant_method);
35
38
41
51 void quantify(const ConsensusMap& consensus_map_in, ConsensusMap& consensus_map_out);
52
53protected:
56
58 void updateMembers_() override;
59
60private:
63
66
69
72
74 void computeLabelingStatistics_(ConsensusMap& consensus_map_out);
75 };
76} // namespace
77
A container for consensus elements.
Definition ConsensusMap.h:68
A base class for all classes handling default parameters.
Definition DefaultParamHandler.h:66
Statistics for quantitation performance and comparison of NNLS vs. naive method (aka matrix inversion...
Definition IsobaricQuantifierStatistics.h:23
Given the extracted channel intensities the IsobaricQuantifier corrects and normalizes the intensitie...
Definition IsobaricQuantifier.h:27
bool isotope_correction_enabled_
Is true if isotope correction is enabled, false otherwise.
Definition IsobaricQuantifier.h:68
const IsobaricQuantitationMethod * quant_method_
The quantification method used for the dataset to be analyzed.
Definition IsobaricQuantifier.h:65
void setDefaultParams_()
implemented for DefaultParamHandler
IsobaricQuantifier(const IsobaricQuantitationMethod *const quant_method)
Constructor given an IsobaricQuantitationMethod (e.g., iTRAQ 4 plex).
IsobaricQuantifier(const IsobaricQuantifier &other)
Copy c'tor.
IsobaricQuantifierStatistics stats_
Stats of current quantitation run.
Definition IsobaricQuantifier.h:62
void quantify(const ConsensusMap &consensus_map_in, ConsensusMap &consensus_map_out)
Using the raw isobaric intensities we apply isotope correction, normalization (using median).
void updateMembers_() override
implemented for DefaultParamHandler
void computeLabelingStatistics_(ConsensusMap &consensus_map_out)
Computes labeling statistics (efficiency, number of empty scans,...)
bool normalization_enabled_
Is true if normalization is enabled, false otherwise.
Definition IsobaricQuantifier.h:71
IsobaricQuantifier & operator=(const IsobaricQuantifier &rhs)
Assignment operator.
Abstract base class describing an isobaric quantitation method in terms of the used channels and an i...
Definition IsobaricQuantitationMethod.h:32
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19