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MultiplexPeakPattern Class Reference

data structure for pattern of isotopic peaks More...

#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/MultiplexPeakPattern.h>

Public Member Functions

 MultiplexPeakPattern (int c, int ppp, std::vector< double > ms, int msi)
 constructor More...
 
int getCharge () const
 returns charge More...
 
int getPeaksPerPeptide () const
 returns peaks per peptide More...
 
std::vector< doublegetMassShifts () const
 returns mass shifts More...
 
int getMassShiftIndex () const
 returns mass shift index More...
 
unsigned getMassShiftCount () const
 returns number of mass shifts More...
 
double getMassShiftAt (int i) const
 returns mass shift at position i More...
 
double getMZShiftAt (int i) const
 returns m/z shift at position i More...
 
unsigned getMZShiftCount () const
 returns number of m/z shifts More...
 

Private Attributes

std::vector< doublemz_shifts_
 m/z shifts between isotopic peaks (number of mz_shifts_ = peaks_per_peptide_ * number of mass_shifts_) More...
 
int charge_
 charge More...
 
int peaks_per_peptide_
 number of isotopic peaks in each peptide More...
 
std::vector< doublemass_shifts_
 mass shifts between peptides (including zero mass shift for first peptide) More...
 
int mass_shift_index_
 index in mass shift list More...
 

Detailed Description

data structure for pattern of isotopic peaks

Groups of peptides appear as characteristic patterns of isotopic peaks in MS1 spectra. For example, for an Arg6 labeled SILAC peptide pair of charge 2+ with three isotopic peaks we expect peaks at relative m/z shifts of 0, 0.5, 1, 3, 3.5 and 4 Th.

Constructor & Destructor Documentation

MultiplexPeakPattern ( int  c,
int  ppp,
std::vector< double ms,
int  msi 
)

constructor

Member Function Documentation

int getCharge ( ) const

returns charge

double getMassShiftAt ( int  i) const

returns mass shift at position i

unsigned getMassShiftCount ( ) const

returns number of mass shifts

int getMassShiftIndex ( ) const

returns mass shift index

std::vector<double> getMassShifts ( ) const

returns mass shifts

double getMZShiftAt ( int  i) const

returns m/z shift at position i

unsigned getMZShiftCount ( ) const

returns number of m/z shifts

int getPeaksPerPeptide ( ) const

returns peaks per peptide

Member Data Documentation

int charge_
private

charge

int mass_shift_index_
private

index in mass shift list

std::vector<double> mass_shifts_
private

mass shifts between peptides (including zero mass shift for first peptide)

std::vector<double> mz_shifts_
private

m/z shifts between isotopic peaks (number of mz_shifts_ = peaks_per_peptide_ * number of mass_shifts_)

int peaks_per_peptide_
private

number of isotopic peaks in each peptide


OpenMS / TOPP release 2.0.0 Documentation generated on Tue Nov 1 2016 16:34:46 using doxygen 1.8.11