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ConsensusElutionWidth.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: Timo Sachsenberg $
7// --------------------------------------------------------------------------
8
9#pragma once
10
11#include <OpenMS/config.h>
13
14#include <vector>
15
16namespace OpenMS
17{
18 class ConsensusMap;
19 class FeatureMap;
20 class TransformationDescription;
21
44 class OPENMS_DLLAPI ConsensusElutionWidth
45 {
46 public:
48 static constexpr const char* FIT_META_VALUES[] = {"model_height", "model_Gauss_sigma", "model_center", "model_status"};
49
50 struct OPENMS_DLLAPI Stats
51 {
52 Size consensus_features = 0;
53 Size handles_updated = 0;
54 Size handles_kept = 0;
55 };
56
64 static Stats apply(ConsensusMap& consensus,
65 const std::vector<FeatureMap>& feature_maps,
66 const std::vector<TransformationDescription>& transformations);
67
69 static double localSlope(const TransformationDescription& trafo, double rt);
70 };
71}
Re-quantifies linked features at one elution width per precursor.
Definition ConsensusElutionWidth.h:45
static Stats apply(ConsensusMap &consensus, const std::vector< FeatureMap > &feature_maps, const std::vector< TransformationDescription > &transformations)
Re-quantify the feature handles of consensus.
static double localSlope(const TransformationDescription &trafo, double rt)
Slope of trafo at rt by a central difference over +- 1 s (1 for an identity or empty transformation)
Definition ConsensusElutionWidth.h:51
A container for consensus elements.
Definition ConsensusMap.h:67
Generic description of a coordinate transformation.
Definition TransformationDescription.h:38
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