31 #include <boost/thread.hpp> 34 using boost::shared_ptr;
53 virtual size_t size()
const;
55 virtual size_t find(
const string&
id)
const;
56 virtual SpectrumPtr spectrum(
size_t index,
bool getBinaryData)
const;
62 virtual SpectrumPtr spectrum(
size_t index,
bool getBinaryData,
double lockmassMzPosScans,
double lockmassMzNegScans,
double lockmassTolerance,
const pwiz::util::IntegerSet& msLevelsToCentroid)
const;
68 virtual bool hasSonarFunctions()
const;
69 virtual pair<int, int> sonarMzToDriftBinRange(
int function,
float precursorMz,
float precursorTolerance)
const;
71 virtual bool hasIonMobility()
const;
72 virtual bool canConvertIonMobilityAndCCS()
const;
73 virtual double ionMobilityToCCS(
double ionMobility,
double mz,
int charge)
const;
74 virtual double ccsToIonMobility(
double ccs,
double mz,
int charge)
const;
76 #ifdef PWIZ_READER_WATERS 94 mutable vector<IndexEntry> index_;
95 mutable map<string, size_t> idToIndexMap_;
96 mutable boost::container::flat_map<double, vector<pair<int, int> > > scanTimeToFunctionAndBlockMap_;
98 void initializeCoefficients()
const;
99 double calibrate(
const double &
mz)
const;
100 mutable vector<double> calibrationCoefficients_;
101 mutable vector<double> imsCalibratedMasses_;
102 mutable vector<float> imsMasses_;
103 mutable vector<int> massIndices_;
104 mutable vector<float> imsIntensities_;
105 mutable boost::mutex readMutex;
108 #endif // PWIZ_READER_WATERS
a virtual container of integers, accessible via an iterator interface, stored as union of intervals ...
boost::shared_ptr< Spectrum > SpectrumPtr
pwiz::util::IntegerSet msLevelsToCentroid
double mz(double neutralMass, int protonDelta, int electronDelta=0, int neutronDelta=0)
boost::shared_ptr< Spectrum3D > Spectrum3DPtr
Identifying information for a spectrum.
This is the root element of ProteoWizard; it represents the mzML element, defined as: intended to cap...