52 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h> 135 void analyzeLCElutionPeak();
140 void setSNIntensityThreshold();
144 void computeLCElutionPeakParameters();
149 double compute_delta_area(
double,
double,
double,
double);
154 void remove_background_peak();
160 void defineLCElutionPeakParametersFromMSPeak();
165 void createConsensIsotopPattern();
168 void print_profile(std::ofstream *);
170 MSPeak * find_true_peak(
float);
188 void setElutionPeakExtraInfo(std::string in);
190 std::string getElutionPeakExtraInfo();
209 void set_apex_retention_time(
double in);
212 void update_CHRGMAP(
MSPeak * in);
218 double get_apex_intensity();
220 double get_apex_retention_time();
222 double get_apex_MZ();
226 float get_intensity(
int in);
233 double get_total_peak_area();
237 int get_start_scan();
241 void set_start_retention_time(
double in);
243 double get_start_retention_time();
245 void set_end_retention_time(
double in);
247 double get_end_retention_time();
251 int get_nb_ms_peaks();
255 int get_charge_state();
259 double getSignalToNoise();
261 double getSignalToNoiseBackground();
static double DEBUG_MASS_END
Definition: LCElutionPeak.h:112
int fScanNumberApex
Definition: LCElutionPeak.h:87
double fpeak_area
Definition: LCElutionPeak.h:93
int fCharge
Definition: LCElutionPeak.h:85
int fScanNumberStart
Definition: LCElutionPeak.h:86
double fapex_intensity
Definition: LCElutionPeak.h:89
Definition: ConsensusIsotopePattern.h:56
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
double fSNIntensityThreshold
Definition: LCElutionPeak.h:95
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
std::multimap< int, int > CHRG_MAP
Definition: LCElutionPeak.h:103
std::string elutionPeakExtraInfo
Definition: LCElutionPeak.h:98
double fRT
Definition: LCElutionPeak.h:90
std::multimap< int, MSPeak > intens_signals
Definition: LCElutionPeak.h:101
double fEndTR
Definition: LCElutionPeak.h:92
static double DEBUG_MASS_START
Definition: LCElutionPeak.h:111
std::vector< elution_peak > MZ_series
Definition: LCElutionPeak.h:63
double f_observed_Mass
Definition: LCElutionPeak.h:78
double fMonoMass
Definition: LCElutionPeak.h:83
MSPeak * APEX
Definition: LCElutionPeak.h:96
double fSignalToNoise
Definition: LCElutionPeak.h:94
ConsensusIsotopePattern * isotopePattern
Definition: LCElutionPeak.h:76
int fNrIsotopes
Definition: LCElutionPeak.h:77
int fScanNumberEnd
Definition: LCElutionPeak.h:88
double fVolume
Definition: LCElutionPeak.h:84
Definition: LCElutionPeak.h:67
double fIsotopMass
Definition: LCElutionPeak.h:79
double fStartTR
Definition: LCElutionPeak.h:91
std::vector< elution_peak >::iterator MZ_series_ITERATOR
Definition: LCElutionPeak.h:64
std::multimap< int, MSPeak >::iterator SIGNAL_iterator
Definition: LCElutionPeak.h:65
std::multimap< int, MSPeak > elution_peak
Definition: LCElutionPeak.h:62