OpenMS
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data structure for pattern of isotopic peaks More...
#include <OpenMS/FEATUREFINDER/MultiplexIsotopicPeakPattern.h>
Public Member Functions | |
MultiplexIsotopicPeakPattern (int c, int ppp, MultiplexDeltaMasses ms, int msi) | |
constructor More... | |
int | getCharge () const |
returns charge More... | |
int | getPeaksPerPeptide () const |
returns peaks per peptide More... | |
MultiplexDeltaMasses | getMassShifts () const |
returns mass shifts More... | |
int | getMassShiftIndex () const |
returns mass shift index More... | |
unsigned | getMassShiftCount () const |
returns number of mass shifts i.e. the number of peptides in the multiplet More... | |
double | getMassShiftAt (size_t i) const |
returns mass shift at position i More... | |
double | getMZShiftAt (size_t i) const |
returns m/z shift at position i More... | |
unsigned | getMZShiftCount () const |
returns number of m/z shifts More... | |
Private Attributes | |
std::vector< double > | mz_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... | |
MultiplexDeltaMasses | mass_shifts_ |
mass shifts between peptides (including zero mass shift for first peptide) More... | |
int | mass_shift_index_ |
index in mass shift list More... | |
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.
MultiplexIsotopicPeakPattern | ( | int | c, |
int | ppp, | ||
MultiplexDeltaMasses | ms, | ||
int | msi | ||
) |
constructor
int getCharge | ( | ) | const |
returns charge
double getMassShiftAt | ( | size_t | i | ) | const |
returns mass shift at position i
unsigned getMassShiftCount | ( | ) | const |
returns number of mass shifts i.e. the number of peptides in the multiplet
int getMassShiftIndex | ( | ) | const |
returns mass shift index
MultiplexDeltaMasses getMassShifts | ( | ) | const |
returns mass shifts
double getMZShiftAt | ( | size_t | 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
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private |
charge
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private |
index in mass shift list
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private |
mass shifts between peptides (including zero mass shift for first peptide)
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private |
m/z shifts between isotopic peaks (number of mz_shifts_ = peaks_per_peptide_ * number of mass_shifts_)
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private |
number of isotopic peaks in each peptide