libpappsomspp
Library for mass spectrometry
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36 double integrationWidth,
37 double intensityThreshold,
39 uint32_t maxnumberofpeaks)
81 std::pair<double, double> range =
82 std::make_pair(data_points.front().x, data_points.back().x);
93 std::vector<double> mzs = data_points.
xValues();
94 std::vector<double> intensities = data_points.
yValues();
95 qDebug() << data_points.
xValues().size();
96 qDebug() << data_points.
yValues().size();
97 qDebug() << data_points.
xValues();
98 qDebug() << data_points.
yValues();
99 pp(mzs.begin(), mzs.end(), intensities.begin());
109 data_points.push_back({*itmz, *itint});
double m_intensityThreshold
integration width
double m_resolution
instrument resolution
uint32_t m_maxnumberofpeaks
max number of peaks returned by picker
tries to keep as much as possible monoisotopes, removing any possible C13 peaks
FilterPseudoCentroid(double resolution, double smoothwidth=2., double integrationWidth=4, double intensityThreshold=10., bool area=true, uint32_t maxnumberofpeaks=0)
const std::vector< TReal > & getPeakArea()
A simple container of DataPoint instances.
Trace & filter(Trace &data_points) const override
const std::vector< TReal > & getPeakMass()
double m_smoothwidth
smoothwidth
std::vector< pappso_double > xValues() const
double m_integrationWidth
std::vector< pappso_double > yValues() const
bool m_area
do you want to store are or intensity