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highrespeakpicker.h
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// Copyright 2026 Filippo Rusconi
// Inspired by code in OpenMS, by Lars Nilse
#pragma once
/////////////////////// stdlib includes
/////////////////////// Qt includes
#include <QList>
#include <QMap>
/////////////////////// pappsomspp includes
#include "pappsomspp/core/trace/trace.h"
/////////////////////// Local includes
#include "pappsomspp/export-import-config.h"
namespace pappso
{
class PMSPP_LIB_DECL HighResPeakPicker
{
public:
struct Parameters
{
double signalToNoise = 0.8;
qsizetype missingPeakCount = 0;
double minimumIntensity = 0.0;
};
HighResPeakPicker(Parameters &parameters);
virtual ~HighResPeakPicker();
struct PeakRange
{
double mz_start;
double mz_stop;
};
void pick(const Trace &trace, Trace &picked_peaks, QList<PeakRange> &peak_ranges);
protected:
Parameters m_parameters;
};
} // 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 &parameters)
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