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)