OpenMS
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 
16 namespace 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:46
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