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PeakWidthEstimator.h
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Lars Nilse $
32 // $Authors: Lars Nilse $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/KERNEL/StandardTypes.h>
38 #include <OpenMS/MATH/MISC/BSpline2d.h>
39 #include <OpenMS/KERNEL/MSExperiment.h>
40 #include <OpenMS/TRANSFORMATIONS/RAW2PEAK/PeakPickerHiRes.h>
41
42 namespace OpenMS
43 {
52 class OPENMS_DLLAPI PeakWidthEstimator
53 {
54
55 public:
56
65 PeakWidthEstimator(const PeakMap & exp_picked, const std::vector<std::vector<PeakPickerHiRes::PeakBoundary> > & boundaries);
66
75 double getPeakWidth(double mz);
76
80 virtual ~PeakWidthEstimator();
81
82 private:
83
85 PeakWidthEstimator();
86
90 BSpline2d* bspline_;
91
95 double mz_min_;
96 double mz_max_;
97
98 };
99 }
100
OpenMS::BSpline2d
b spline interpolation
Definition: BSpline2d.h:57
OpenMS::MSExperiment
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
OpenMS::PeakWidthEstimator::bspline_
BSpline2d * bspline_
B-spline for peak width interpolation.
Definition: PeakWidthEstimator.h:90
StandardTypes.h
PeakPickerHiRes.h
OpenMS::PeakWidthEstimator
Rough estimation of the peak width at m/z.
Definition: PeakWidthEstimator.h:52
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
MSExperiment.h
OpenMS::PeakWidthEstimator::mz_min_
double mz_min_
m/z range of peak width interpolation
Definition: PeakWidthEstimator.h:95
BSpline2d.h
OpenMS::PeakWidthEstimator::mz_max_
double mz_max_
Definition: PeakWidthEstimator.h:96