libpappsomspp
Library for mass spectrometry
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highrespeakpicker.h
Go to the documentation of this file.
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// Copyright 2026 Filippo Rusconi
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// Inspired by code in OpenMS, by Lars Nilse
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#pragma once
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/////////////////////// stdlib includes
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/////////////////////// Qt includes
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#include <QList>
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#include <QMap>
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/////////////////////// pappsomspp includes
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#include "
pappsomspp/core/trace/trace.h
"
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/////////////////////// Local includes
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#include "
pappsomspp/export-import-config.h
"
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namespace
pappso
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{
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class
PMSPP_LIB_DECL
HighResPeakPicker
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{
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public
:
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struct
Parameters
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{
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double
signalToNoise
= 0.8;
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qsizetype
missingPeakCount
= 0;
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double
minimumIntensity
= 0.0;
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};
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HighResPeakPicker
(
Parameters
¶meters);
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virtual
~HighResPeakPicker
();
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struct
PeakRange
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{
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double
mz_start
;
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double
mz_stop
;
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};
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void
pick
(
const
Trace
&trace,
Trace
&picked_peaks, QList<PeakRange> &peak_ranges);
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protected
:
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Parameters
m_parameters
;
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};
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}
// namespace pappso
pappso::HighResPeakPicker::pick
void pick(const Trace &trace, Trace &picked_peaks, QList< PeakRange > &peak_ranges)
Definition
highrespeakpicker.cpp:33
pappso::HighResPeakPicker::m_parameters
Parameters m_parameters
Definition
highrespeakpicker.h:47
pappso::HighResPeakPicker::HighResPeakPicker
HighResPeakPicker(Parameters ¶meters)
Definition
highrespeakpicker.cpp:24
pappso::Trace
A simple container of DataPoint instances.
Definition
trace.h:152
export-import-config.h
PMSPP_LIB_DECL
#define PMSPP_LIB_DECL
Definition
export-import-config.h:14
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition
aa.cpp:39
pappso::HighResPeakPicker::Parameters
Definition
highrespeakpicker.h:29
pappso::HighResPeakPicker::Parameters::signalToNoise
double signalToNoise
Definition
highrespeakpicker.h:30
pappso::HighResPeakPicker::Parameters::missingPeakCount
qsizetype missingPeakCount
Definition
highrespeakpicker.h:31
pappso::HighResPeakPicker::Parameters::minimumIntensity
double minimumIntensity
Definition
highrespeakpicker.h:32
pappso::HighResPeakPicker::PeakRange
Definition
highrespeakpicker.h:39
pappso::HighResPeakPicker::PeakRange::mz_start
double mz_start
Definition
highrespeakpicker.h:40
pappso::HighResPeakPicker::PeakRange::mz_stop
double mz_stop
Definition
highrespeakpicker.h:41
trace.h
pappsomspp
core
processing
detection
highrespeakpicker.h
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