50 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_LCELUTIONPEAK_H
51 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_LCELUTIONPEAK_H
136 if (get_nb_ms_peaks() > 1)
143 setSNIntensityThreshold();
146 computeLCElutionPeakParameters();
152 createConsensIsotopPattern();
156 defineLCElutionPeakParametersFromMSPeak();
163 void setSNIntensityThreshold();
167 void computeLCElutionPeakParameters();
172 double compute_delta_area(
double,
double,
double,
double);
177 void remove_background_peak();
183 void defineLCElutionPeakParametersFromMSPeak();
188 void createConsensIsotopPattern();
191 void print_profile(std::ofstream *);
193 MSPeak * find_true_peak(
float);
213 elutionPeakExtraInfo = in;
218 return elutionPeakExtraInfo;
230 return intens_signals.begin();
235 return intens_signals.end();
252 std::multimap<int, int>::iterator T = CHRG_MAP.find(IN->
get_charge_state());
253 if (T == CHRG_MAP.end())
267 return fScanNumberApex;
272 return fapex_intensity;
282 return get_MZ(get_scan_apex());
289 return (*(intens_signals.find(IN))).second.get_intensity();
306 return fScanNumberStart;
311 return fScanNumberEnd;
338 return (
int) intens_signals.size();
352 return fSignalToNoise;
357 return fSNIntensityThreshold;
364 #endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_LCELUTIONPEAK_H
static double DEBUG_MASS_END
Definition: LCElutionPeak.h:110
void update_CHRGMAP(MSPeak *IN)
Definition: LCElutionPeak.h:250
void set_end_retention_time(double IN)
Definition: LCElutionPeak.h:324
SIGNAL_iterator get_signal_list_end()
Definition: LCElutionPeak.h:233
double getSignalToNoise()
Definition: LCElutionPeak.h:350
int fScanNumberApex
Definition: LCElutionPeak.h:85
double get_end_retention_time()
Definition: LCElutionPeak.h:329
double fpeak_area
Definition: LCElutionPeak.h:91
double getSignalToNoiseBackground()
Definition: LCElutionPeak.h:355
int fCharge
Definition: LCElutionPeak.h:83
int fScanNumberStart
Definition: LCElutionPeak.h:84
double fapex_intensity
Definition: LCElutionPeak.h:87
void set_start_retention_time(double IN)
Definition: LCElutionPeak.h:314
float get_intensity(int IN)
Definition: LCElutionPeak.h:287
void setElutionPeakExtraInfo(std::string in)
Definition: LCElutionPeak.h:211
int get_start_scan()
Definition: LCElutionPeak.h:304
Definition: ConsensusIsotopePattern.h:56
double fSNIntensityThreshold
Definition: LCElutionPeak.h:93
int get_charge_state()
Definition: LCElutionPeak.h:343
unsigned int get_charge_state()
Definition: MSPeak.h:221
std::multimap< int, int > CHRG_MAP
Definition: LCElutionPeak.h:101
double get_apex_MZ()
Definition: LCElutionPeak.h:280
std::string elutionPeakExtraInfo
Definition: LCElutionPeak.h:96
void set_apex_retention_time(double IN)
Definition: LCElutionPeak.h:244
double fRT
Definition: LCElutionPeak.h:88
std::multimap< int, MSPeak > intens_signals
Definition: LCElutionPeak.h:99
double get_start_retention_time()
Definition: LCElutionPeak.h:319
double fEndTR
Definition: LCElutionPeak.h:90
double get_apex_retention_time()
Definition: LCElutionPeak.h:275
double get_apex_intensity()
Definition: LCElutionPeak.h:270
SIGNAL_iterator get_signal_list_start()
Definition: LCElutionPeak.h:228
static double DEBUG_MASS_START
Definition: LCElutionPeak.h:109
double get_total_peak_area()
Definition: LCElutionPeak.h:297
std::vector< elution_peak > MZ_series
Definition: LCElutionPeak.h:61
double f_observed_Mass
Definition: LCElutionPeak.h:76
double fMonoMass
Definition: LCElutionPeak.h:81
std::string getElutionPeakExtraInfo()
Definition: LCElutionPeak.h:216
MSPeak * APEX
Definition: LCElutionPeak.h:94
double fSignalToNoise
Definition: LCElutionPeak.h:92
ConsensusIsotopePattern * isotopePattern
Definition: LCElutionPeak.h:74
int fNrIsotopes
Definition: LCElutionPeak.h:75
int get_scan_apex()
Definition: LCElutionPeak.h:265
int fScanNumberEnd
Definition: LCElutionPeak.h:86
double fVolume
Definition: LCElutionPeak.h:82
int get_nb_ms_peaks()
Definition: LCElutionPeak.h:336
Definition: LCElutionPeak.h:65
void analyzeLCElutionPeak()
Definition: LCElutionPeak.h:133
double fIsotopMass
Definition: LCElutionPeak.h:77
double fStartTR
Definition: LCElutionPeak.h:89
std::vector< elution_peak >::iterator MZ_series_ITERATOR
Definition: LCElutionPeak.h:62
int get_end_scan()
Definition: LCElutionPeak.h:309
std::multimap< int, MSPeak >::iterator SIGNAL_iterator
Definition: LCElutionPeak.h:63
std::multimap< int, MSPeak > elution_peak
Definition: LCElutionPeak.h:60