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PeakWidthEstimator.h
Go to the documentation of this file.
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// --------------------------------------------------------------------------
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// OpenMS -- Open-Source Mass Spectrometry
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// --------------------------------------------------------------------------
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// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
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// ETH Zurich, and Freie Universitaet Berlin 2002-2020.
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//
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// This software is released under a three-clause BSD license:
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// * Redistributions of source code must retain the above copyright
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// notice, this list of conditions and the following disclaimer.
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// * Redistributions in binary form must reproduce the above copyright
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// notice, this list of conditions and the following disclaimer in the
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// documentation and/or other materials provided with the distribution.
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// * Neither the name of any author or any participating institution
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// may be used to endorse or promote products derived from this software
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// without specific prior written permission.
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// For a full list of authors, refer to the file AUTHORS.
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// --------------------------------------------------------------------------
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// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
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// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
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// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
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// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
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// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
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// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
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// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
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// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
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// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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//
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// --------------------------------------------------------------------------
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// $Maintainer: Lars Nilse $
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// $Authors: Lars Nilse $
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// --------------------------------------------------------------------------
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#pragma once
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#include <
OpenMS/KERNEL/StandardTypes.h
>
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#include <
OpenMS/MATH/MISC/BSpline2d.h
>
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#include <
OpenMS/KERNEL/MSExperiment.h
>
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#include <
OpenMS/TRANSFORMATIONS/RAW2PEAK/PeakPickerHiRes.h
>
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namespace
OpenMS
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{
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class
OPENMS_DLLAPI
PeakWidthEstimator
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{
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public
:
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PeakWidthEstimator
(
const
PeakMap
& exp_picked,
const
std::vector<std::vector<PeakPickerHiRes::PeakBoundary> > & boundaries);
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double
getPeakWidth(
double
mz);
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virtual
~
PeakWidthEstimator
();
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private
:
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PeakWidthEstimator
();
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BSpline2d
*
bspline_
;
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double
mz_min_
;
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double
mz_max_
;
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};
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}
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OpenMS::PeakWidthEstimator::mz_min_
double mz_min_
m/z range of peak width interpolation
Definition:
PeakWidthEstimator.h:95
OpenMS::MSExperiment
In-Memory representation of a mass spectrometry experiment.
Definition:
MSExperiment.h:77
BSpline2d.h
OpenMS
Main OpenMS namespace.
Definition:
FeatureDeconvolution.h:46
MSExperiment.h
OpenMS::PeakWidthEstimator::bspline_
BSpline2d * bspline_
B-spline for peak width interpolation.
Definition:
PeakWidthEstimator.h:90
PeakPickerHiRes.h
StandardTypes.h
OpenMS::PeakWidthEstimator
Rough estimation of the peak width at m/z.
Definition:
PeakWidthEstimator.h:52
OpenMS::BSpline2d
b spline interpolation
Definition:
BSpline2d.h:57
OpenMS::PeakWidthEstimator::mz_max_
double mz_max_
Definition:
PeakWidthEstimator.h:96
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