50 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_LCELUTIONPEAK_H 51 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_LCELUTIONPEAK_H 53 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h> 136 void analyzeLCElutionPeak();
141 void setSNIntensityThreshold();
145 void computeLCElutionPeakParameters();
150 double compute_delta_area(
double,
double,
double,
double);
155 void remove_background_peak();
161 void defineLCElutionPeakParametersFromMSPeak();
166 void createConsensIsotopPattern();
169 void print_profile(std::ofstream *);
171 MSPeak * find_true_peak(
float);
189 void setElutionPeakExtraInfo(std::string in);
191 std::string getElutionPeakExtraInfo();
200 SIGNAL_iterator get_signal_list_start();
202 SIGNAL_iterator get_signal_list_end();
210 void set_apex_retention_time(
double in);
213 void update_CHRGMAP(
MSPeak * in);
219 double get_apex_intensity();
221 double get_apex_retention_time();
223 double get_apex_MZ();
227 float get_intensity(
int in);
234 double get_total_peak_area();
238 int get_start_scan();
242 void set_start_retention_time(
double in);
244 double get_start_retention_time();
246 void set_end_retention_time(
double in);
248 double get_end_retention_time();
252 int get_nb_ms_peaks();
256 int get_charge_state();
260 double getSignalToNoise();
262 double getSignalToNoiseBackground();
268 #endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_LCELUTIONPEAK_H static double DEBUG_MASS_END
Definition: LCElutionPeak.h:113
int fScanNumberApex
Definition: LCElutionPeak.h:88
double fpeak_area
Definition: LCElutionPeak.h:94
int fCharge
Definition: LCElutionPeak.h:86
int fScanNumberStart
Definition: LCElutionPeak.h:87
double fapex_intensity
Definition: LCElutionPeak.h:90
Definition: ConsensusIsotopePattern.h:57
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
double fSNIntensityThreshold
Definition: LCElutionPeak.h:96
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
std::multimap< int, int > CHRG_MAP
Definition: LCElutionPeak.h:104
std::string elutionPeakExtraInfo
Definition: LCElutionPeak.h:99
double fRT
Definition: LCElutionPeak.h:91
std::multimap< int, MSPeak > intens_signals
Definition: LCElutionPeak.h:102
double fEndTR
Definition: LCElutionPeak.h:93
static double DEBUG_MASS_START
Definition: LCElutionPeak.h:112
std::vector< elution_peak > MZ_series
Definition: LCElutionPeak.h:64
double f_observed_Mass
Definition: LCElutionPeak.h:79
double fMonoMass
Definition: LCElutionPeak.h:84
MSPeak * APEX
Definition: LCElutionPeak.h:97
double fSignalToNoise
Definition: LCElutionPeak.h:95
ConsensusIsotopePattern * isotopePattern
Definition: LCElutionPeak.h:77
int fNrIsotopes
Definition: LCElutionPeak.h:78
int fScanNumberEnd
Definition: LCElutionPeak.h:89
double fVolume
Definition: LCElutionPeak.h:85
Definition: LCElutionPeak.h:68
double fIsotopMass
Definition: LCElutionPeak.h:80
double fStartTR
Definition: LCElutionPeak.h:92
std::vector< elution_peak >::iterator MZ_series_ITERATOR
Definition: LCElutionPeak.h:65
std::multimap< int, MSPeak >::iterator SIGNAL_iterator
Definition: LCElutionPeak.h:66
std::multimap< int, MSPeak > elution_peak
Definition: LCElutionPeak.h:63