51 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_PROCESSDATA_H 52 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_PROCESSDATA_H 54 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h> 152 void add_scan_raw_data(std::vector<MSPeak>);
164 void insert_observed_mz(main_iterator,
MSPeak *);
166 void insert_new_observed_mz(
MSPeak *);
170 void convert_ms_peaks(
int,
double, std::list<DeconvPeak> &, std::vector<MSPeak> &);
173 bool filterDeisotopicMSPeak(
MSPeak *);
181 int compareIteratorToPeak(
MSPeak *, main_iterator);
184 main_iterator check_MZ_occurence(
MSPeak *);
190 void processMSPeaks(std::multimap<int, MSPeak> *);
195 double getPeakIntensitySum(
double);
199 bool check_elution_peak_belong(MZ_series_ITERATOR,
MSPeak *);
201 int getElutionPeakDistance(MZ_series_ITERATOR,
int);
205 void extract_elution_peaks();
208 bool check_elution_peak(MZ_series_ITERATOR);
211 void convert_to_LC_elution_peak(MZ_series_ITERATOR,
double);
214 double find_retention_time(
double);
217 main_iterator find_closest_mz_match(
double);
221 void adjustCorrectToMS1Precursor(
double *,
int,
int,
int);
228 main_iterator get_MZ(
double);
230 main_iterator get_MZ_lower_bound(
double);
232 main_iterator get_MZ_LIST_end();
234 main_iterator get_MZ_LIST_start();
236 void erase_MZ_LIST_element(main_iterator);
239 double getMinimalIntensityLevel();
243 std::map<double, int>::iterator get_nb_MZ_cluster_elements(
double);
245 void erase_MZ_cluster_element(std::map<double, int>::iterator);
247 void insert_MZ_cluster_element(
double,
int);
256 void increase_LC_elution_peak_counter();
257 unsigned int get_LC_elution_peak_counter();
260 int getMaxScanDistance();
261 void setMaxScanDistance(
int in);
271 #endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_PROCESSDATA_H Definition: ProcessData.h:68
Definition: BackgroundControl.h:63
Definition: CentroidData.h:64
main_data_structure pMZ_LIST
Definition: ProcessData.h:100
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
std::map< double, int > MZ_CLUSTER
Definition: ProcessData.h:104
main_data_structure::iterator main_iterator
Definition: ProcessData.h:80
unsigned int LC_elution_peak_counter
Definition: ProcessData.h:105
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
BackgroundControl * backgroundController
Definition: ProcessData.h:110
std::multimap< int, MSPeak > elution_peak
Definition: ProcessData.h:76
std::multimap< double, MZ_series > main_data_structure
Definition: ProcessData.h:79
std::vector< elution_peak >::iterator MZ_series_ITERATOR
Definition: ProcessData.h:78
std::vector< elution_peak > MZ_series
Definition: ProcessData.h:77
LCMSCData * data_
Definition: ProcessData.h:97
Definition: LCMSCData.h:60
int max_inter_scan_distance
Definition: ProcessData.h:94