23 #ifndef _SPECTRUMLIST_CHARGEFROMISOTOPE_HPP_ 24 #define _SPECTRUMLIST_CHARGEFROMISOTOPE_HPP_ 65 using namespace msdata;
74 int parentsBefore = 2,
76 double isolationWindow = 1.25,
77 int defaultChargeMax = 0,
78 int defaultChargeMin = 0);
82 void getMS1RetentionTimes();
83 void simulateSSE(
const int,
const int);
84 void simulateKL(
const double,
const int,
const int);
85 void simulateTotIntensity(
const int);
86 void getParentIndices(
const SpectrumPtr,std::vector <int> &)
const;
87 void getParentPeaks(
const SpectrumPtr,
const std::vector <int> &,
const double,
const double,
const double,std::vector< std::vector <double> > &,std::vector< std::vector <double> > &)
const;
89 SpectrumListPtr instantiatePeakPicker(
const std::vector <int> & )
const;
90 SpectrumListPtr instantiatePeakPicker(
const std::vector <int> &,
const double,
const double,
const double )
const;
127 #endif // _SPECTRUMLIST_CHARGEFROMISOTOPE_HPP_
double defaultIsolationWidth_
boost::shared_ptr< Spectrum > SpectrumPtr
SpectrumList implementation that assigns (probable) charge states to tandem mass spectra.
std::vector< rtimeMap > MS1retentionTimes
double getKLscore(const isotopeChain, const std::vector< double > &, const std::vector< double > &)
double intensitySumPvalue
Inheritable pass-through implementation for wrapping a SpectrumList.
std::vector< int > simulatedIntensityRankSum
boost::shared_ptr< SpectrumList > SpectrumListPtr
std::vector< double > simulatedKLs
std::vector< int > indexList
std::vector< double > simulatedSSEs
This is the root element of ProteoWizard; it represents the mzML element, defined as: intended to cap...