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LCElutionPeak Class Reference

#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/LCElutionPeak.h>

Public Member Functions

 ~LCElutionPeak ()
 
 LCElutionPeak ()
 
 LCElutionPeak (MZ_series_ITERATOR, double)
 
 LCElutionPeak (const LCElutionPeak &)
 
 LCElutionPeak (const LCElutionPeak *)
 
void analyzeLCElutionPeak ()
 
void setSNIntensityThreshold ()
 
void computeLCElutionPeakParameters ()
 
double compute_delta_area (double, double, double, double)
 
void remove_background_peak ()
 
void compute_CHRG ()
 
void defineLCElutionPeakParametersFromMSPeak ()
 
void createConsensIsotopPattern ()
 
void print_profile (std::ofstream *)
 
MSPeakfind_true_peak (float)
 
void show_info ()
 
LCElutionPeakoperator= (const LCElutionPeak &)
 
LCElutionPeakoperator<= (const LCElutionPeak &)
 
LCElutionPeakoperator>= (const LCElutionPeak &)
 
LCElutionPeakoperator< (const LCElutionPeak &)
 
LCElutionPeakoperator> (const LCElutionPeak &)
 
void setElutionPeakExtraInfo (std::string in)
 
std::string getElutionPeakExtraInfo ()
 
SIGNAL_iterator get_signal_list_start ()
 
SIGNAL_iterator get_signal_list_end ()
 
void set_apex_retention_time (double in)
 
void update_CHRGMAP (MSPeak *in)
 
int get_scan_apex ()
 
double get_apex_intensity ()
 
double get_apex_retention_time ()
 
double get_apex_MZ ()
 
float get_intensity (int in)
 
double get_MZ (int)
 
double get_total_peak_area ()
 
int get_start_scan ()
 
int get_end_scan ()
 
void set_start_retention_time (double in)
 
double get_start_retention_time ()
 
void set_end_retention_time (double in)
 
double get_end_retention_time ()
 
int get_nb_ms_peaks ()
 
int get_charge_state ()
 
double getSignalToNoise ()
 
double getSignalToNoiseBackground ()
 

Static Public Attributes

static double DEBUG_MASS_START
 
static double DEBUG_MASS_END
 

Protected Attributes

double fMonoMass
 
double fVolume
 
int fCharge
 
int fScanNumberStart
 
int fScanNumberApex
 
int fScanNumberEnd
 
double fapex_intensity
 
double fRT
 
double fStartTR
 
double fEndTR
 
double fpeak_area
 
double fSignalToNoise
 
double fSNIntensityThreshold
 
MSPeakAPEX
 
std::string elutionPeakExtraInfo
 
std::multimap< int, MSPeakintens_signals
 
std::multimap< int, int > CHRG_MAP
 

Private Attributes

ConsensusIsotopePatternisotopePattern
 
int fNrIsotopes
 
double f_observed_Mass
 
double fIsotopMass
 

Constructor & Destructor Documentation

◆ ~LCElutionPeak()

◆ LCElutionPeak() [1/4]

◆ LCElutionPeak() [2/4]

◆ LCElutionPeak() [3/4]

◆ LCElutionPeak() [4/4]

Member Function Documentation

◆ analyzeLCElutionPeak()

void analyzeLCElutionPeak ( )

◆ compute_CHRG()

void compute_CHRG ( )

◆ compute_delta_area()

double compute_delta_area ( double  ,
double  ,
double  ,
double   
)

◆ computeLCElutionPeakParameters()

void computeLCElutionPeakParameters ( )

◆ createConsensIsotopPattern()

void createConsensIsotopPattern ( )

◆ defineLCElutionPeakParametersFromMSPeak()

void defineLCElutionPeakParametersFromMSPeak ( )

◆ find_true_peak()

MSPeak* find_true_peak ( float  )

◆ get_apex_intensity()

double get_apex_intensity ( )

◆ get_apex_MZ()

double get_apex_MZ ( )

◆ get_apex_retention_time()

double get_apex_retention_time ( )

◆ get_charge_state()

int get_charge_state ( )

◆ get_end_retention_time()

double get_end_retention_time ( )

◆ get_end_scan()

int get_end_scan ( )

◆ get_intensity()

float get_intensity ( int  in)

◆ get_MZ()

double get_MZ ( int  )

◆ get_nb_ms_peaks()

int get_nb_ms_peaks ( )

◆ get_scan_apex()

int get_scan_apex ( )

◆ get_signal_list_end()

SIGNAL_iterator get_signal_list_end ( )

◆ get_signal_list_start()

SIGNAL_iterator get_signal_list_start ( )

◆ get_start_retention_time()

double get_start_retention_time ( )

◆ get_start_scan()

int get_start_scan ( )

◆ get_total_peak_area()

double get_total_peak_area ( )

◆ getElutionPeakExtraInfo()

std::string getElutionPeakExtraInfo ( )

◆ getSignalToNoise()

double getSignalToNoise ( )

◆ getSignalToNoiseBackground()

double getSignalToNoiseBackground ( )

◆ operator<()

LCElutionPeak& operator< ( const LCElutionPeak )

◆ operator<=()

LCElutionPeak& operator<= ( const LCElutionPeak )

◆ operator=()

LCElutionPeak& operator= ( const LCElutionPeak )

◆ operator>()

LCElutionPeak& operator> ( const LCElutionPeak )

◆ operator>=()

LCElutionPeak& operator>= ( const LCElutionPeak )

◆ print_profile()

void print_profile ( std::ofstream *  )

◆ remove_background_peak()

void remove_background_peak ( )

◆ set_apex_retention_time()

void set_apex_retention_time ( double  in)

◆ set_end_retention_time()

void set_end_retention_time ( double  in)

◆ set_start_retention_time()

void set_start_retention_time ( double  in)

◆ setElutionPeakExtraInfo()

void setElutionPeakExtraInfo ( std::string  in)

◆ setSNIntensityThreshold()

void setSNIntensityThreshold ( )

◆ show_info()

void show_info ( )

◆ update_CHRGMAP()

void update_CHRGMAP ( MSPeak in)

Member Data Documentation

◆ APEX

MSPeak* APEX
protected

◆ CHRG_MAP

std::multimap<int, int> CHRG_MAP
protected

◆ DEBUG_MASS_END

double DEBUG_MASS_END
static

◆ DEBUG_MASS_START

double DEBUG_MASS_START
static

◆ elutionPeakExtraInfo

std::string elutionPeakExtraInfo
protected

◆ f_observed_Mass

double f_observed_Mass
private

◆ fapex_intensity

double fapex_intensity
protected

◆ fCharge

int fCharge
protected

◆ fEndTR

double fEndTR
protected

◆ fIsotopMass

double fIsotopMass
private

◆ fMonoMass

double fMonoMass
protected

◆ fNrIsotopes

int fNrIsotopes
private

◆ fpeak_area

double fpeak_area
protected

◆ fRT

double fRT
protected

◆ fScanNumberApex

int fScanNumberApex
protected

◆ fScanNumberEnd

int fScanNumberEnd
protected

◆ fScanNumberStart

int fScanNumberStart
protected

◆ fSignalToNoise

double fSignalToNoise
protected

◆ fSNIntensityThreshold

double fSNIntensityThreshold
protected

◆ fStartTR

double fStartTR
protected

◆ fVolume

double fVolume
protected

◆ intens_signals

std::multimap<int, MSPeak> intens_signals
protected

◆ isotopePattern

ConsensusIsotopePattern* isotopePattern
private

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:22:10 using doxygen 1.8.13