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PeakWidthEstimator.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: Lars Nilse $
6// $Authors: Lars Nilse $
7// --------------------------------------------------------------------------
8
9#pragma once
10
15
16namespace OpenMS
17{
26 class OPENMS_DLLAPI PeakWidthEstimator
27 {
28
29 public:
30
39 PeakWidthEstimator(const PeakMap & exp_picked, const std::vector<std::vector<PeakPickerHiRes::PeakBoundary> > & boundaries);
40
49 double getPeakWidth(double mz);
50
55
56 private:
57
60
65
69 double mz_min_;
70 double mz_max_;
71
72 };
73}
74
b spline interpolation
Definition BSpline2d.h:31
In-Memory representation of a mass spectrometry run.
Definition MSExperiment.h:49
Rough estimation of the peak width at m/z.
Definition PeakWidthEstimator.h:27
PeakWidthEstimator(const PeakMap &exp_picked, const std::vector< std::vector< PeakPickerHiRes::PeakBoundary > > &boundaries)
constructor
BSpline2d * bspline_
B-spline for peak width interpolation.
Definition PeakWidthEstimator.h:64
double mz_min_
m/z range of peak width interpolation
Definition PeakWidthEstimator.h:69
virtual ~PeakWidthEstimator()
destructor
PeakWidthEstimator()
hide default constructor
double getPeakWidth(double mz)
returns the estimated peak width at m/z
double mz_max_
Definition PeakWidthEstimator.h:70
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19