49 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_MSPEAK_H 50 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_MSPEAK_H 52 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h> 101 MSPeak(
int,
double,
float);
103 MSPeak(
int,
double,
float,
unsigned int,
unsigned int,
float, std::vector<CentroidPeak>);
119 void activateAsPrecursorPeak(
int);
123 bool checkIsotopeBelongingAndAdjustMass(
double,
double);
130 std::vector<CentroidPeak> & get_isotopic_peaks();
132 std::vector<CentroidPeak>::iterator get_isotopic_peaks_start();
134 std::vector<CentroidPeak>::iterator get_isotopic_peaks_end();
136 void setExtraPeakInfo(std::string in);
138 std::string getExtraPeakInfo();
141 void setPrecursorMZ(
double in);
143 double getPrecursorMZ();
146 void setPrecursorCHRG(
int in);
148 int getPrecursorCHRG();
151 bool getPrecursorActivation();
155 void set_Chrg(
int z);
159 float get_intensity();
163 int get_scan_number();
165 void set_retention_time(
double in);
167 double get_retention_time();
169 unsigned int get_charge_state();
171 unsigned int get_nr_isotopes();
175 double getSignalToNoise();
177 void setSignalToNoise(
double in);
183 #endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_MSPEAK_H double precursorMZ
Definition: MSPeak.h:72
double MZ
Definition: MSPeak.h:73
int SCAN
Definition: MSPeak.h:75
int childScan
Definition: MSPeak.h:85
double SignalToNoise
Definition: MSPeak.h:87
float INTENSITY
Definition: MSPeak.h:74
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
float SCORE
Definition: MSPeak.h:79
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
unsigned int NRISOTOPES
Definition: MSPeak.h:78
bool precursorMass
Definition: MSPeak.h:84
unsigned int CHRG
Definition: MSPeak.h:77
std::string extraMSPeakInfo
Definition: MSPeak.h:81
std::vector< CentroidPeak > ISOPEAKS
Definition: MSPeak.h:88
double TR
Definition: MSPeak.h:76