| OpenMS 2.5.0

Classes | Public Types | Public Member Functions | Static Public Member Functions | Private Attributes | List of all members
MultiplexDeltaMasses Class Reference

data structure for mass shift pattern More...

`#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/MultiplexDeltaMasses.h>`

## Classes

struct | DeltaMass
| mass shift with corresponding label set More...

## Public Types

typedef std::multiset< String > | LabelSet
| set of labels associated with a mass shift More...

## Public Member Functions

| MultiplexDeltaMasses ()
| constructor More...
| MultiplexDeltaMasses (const std::vector< DeltaMass > &dm)
| constructor More...
std::vector< DeltaMass > & | getDeltaMasses ()
| returns delta masses More...
const std::vector< DeltaMass > & | getDeltaMasses () const
| returns delta masses More...

## Static Public Member Functions

static String | labelSetToString (const LabelSet &ls)
| converts a label set to a string More...

## Private Attributes

std::vector< DeltaMass > | delta_masses_
| mass shifts between peptides (including zero mass shift for first peptide) More...

## Detailed Description

data structure for mass shift pattern

Groups of labelled peptides appear with characteristic mass shifts.

For example, for an Arg6 labeled SILAC peptide pair we expect to see mass shifts of 0 and 6 Da. Or as second example, for a peptide pair of a dimethyl labelled sample with a single lysine we will see mass shifts of 56 Da and 64 Da. 28 Da (N-term) + 28 Da (K) and 34 Da (N-term) + 34 Da (K) for light and heavy partners respectively.

The data structure stores the mass shifts and corresponding labels for a group of matching peptide features.

## Member Typedef Documentation

## ◆ LabelSet

typedef std::multiset<String> LabelSet

set of labels associated with a mass shift

For example, a set of SILAC labels [Lys8, Lys8, Arg10] would result in a +26 Da mass shift.

## Constructor & Destructor Documentation

## ◆ MultiplexDeltaMasses() [1/2]

MultiplexDeltaMasses | ( |  | ) |

constructor

## ◆ MultiplexDeltaMasses() [2/2]

MultiplexDeltaMasses | ( | const std::vector< DeltaMass > & | dm | ) |

constructor

## Member Function Documentation

## ◆ getDeltaMasses() [1/2]

std::vector<DeltaMass>& getDeltaMasses | ( |  | ) |

returns delta masses

## ◆ getDeltaMasses() [2/2]

const std::vector<DeltaMass>& getDeltaMasses | ( |  | ) | const

returns delta masses

## ◆ labelSetToString()

static String labelSetToString | ( | const LabelSet & | ls | ) |

static

converts a label set to a string

## Member Data Documentation

## ◆ delta_masses_

std::vector<DeltaMass> delta_masses_

private

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