libpappsomspp
Library for mass spectrometry
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33 #include "../../massspectrum/massspectrum.h"
71 virtual std::size_t
getNbrPeaks(std::size_t scanNum)
const;
74 std::size_t scanNumEnd)
const;
83 std::size_t scanNumBegin,
84 std::size_t scanNumEnd)
const;
91 double digitizerTimebase,
92 double digitizerDelay,
113 std::size_t
getId()
const;
162 std::map<quint32, quint32> &accumulated_scans)
const;
168 std::map<quint32, quint32> &accumulated_scans)
const;
double m_digitizerTimebase
bool checkScanNum(std::size_t scanNum) const
std::size_t m_timsId
Tims frame database id (the SQL identifier of this frame)
void setTimsCalibration(int tims_model_type, double C0, double C1, double C2, double C3, double C4, double C5, double C6, double C7, double C8, double C9)
unsigned int getMsLevel() const
virtual Trace cumulateScanToTrace(std::size_t scanNumBegin, std::size_t scanNumEnd) const
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
void setAccumulationTime(double accumulation_time_ms)
void setMzCalibration(double temperature_correction, double digitizerTimebase, double digitizerDelay, double C0, double C1, double C2, double C3)
std::shared_ptr< const TimsFrameBase > TimsFrameBaseCstSPtr
void setTime(double time)
virtual std::size_t getNbrPeaks(std::size_t scanNum) const
quint32 getRawIndexFromMz(double mz) const
get raw index of a given m/z
double getDriftTime(std::size_t scanNum) const
get drift time of a scan number in milliseconds
double m_accumulationTime
accumulation time in milliseconds
double m_time
retention time
pappso::Trace getTraceFromCumulatedScansBuiltinCentroid(std::map< quint32, quint32 > &accumulated_scans) const
transform accumulation of raw scans into a real mass spectrum with a simple centroid on raw integers
A simple container of DataPoint instances.
double getVoltageTransformation(std::size_t scanNum) const
std::size_t getId() const
virtual MassSpectrumSPtr getMassSpectrumSPtr(std::size_t scanNum) const
std::size_t getScanNumFromOneOverK0(double one_over_k0) const
get the scan number from a given 1/Ko mobility value
std::shared_ptr< TimsFrameBase > TimsFrameBaseSPtr
TimsFrameBase(std::size_t timsId, quint32 scanNum)
constructor for binary independant tims frame
void setMsMsType(quint8 type)
virtual void cumulateScansInRawMap(std::map< quint32, quint32 > &rawSpectrum, std::size_t scanNumBegin, std::size_t scanNumEnd) const
cumulate scan list into a trace into a raw spectrum map
double getOneOverK0Transformation(std::size_t scanNum) const
get 1/K0 value of a given scan (mobility value)
double getMzFromTof(double tof) const
get m/z from time of flight
quint32 m_scanNumber
total number of scans contained in this frame
double getTofFromIndex(quint32 index) const
get time of flight from raw index
std::vector< double > m_mzCalibrationArr
MZ calibration parameters.
std::shared_ptr< MassSpectrum > MassSpectrumSPtr
pappso::Trace getTraceFromCumulatedScans(std::map< quint32, quint32 > &accumulated_scans) const
transform accumulation of raw scans into a real mass spectrum
virtual bool hasSameCalibrationData(const TimsFrameBase &other) const
tells if 2 tims frame has the same calibration data Usefull to know if raw data can be handled betwee...