The representation of a 1D spectrum. More...

#include <OpenMS/KERNEL/MSSpectrum.h>

Inheritance diagram for MSSpectrum< PeakT >:

Classes
class	FloatDataArray
	Float data array class. More...

class	IntegerDataArray
	Integer data array class. More...

struct	RTLess
	Comparator for the retention time. More...

class	StringDataArray
	String data array class. More...

Public Types
Base type definitions
typedef PeakT	PeakType
	Peak type. More...

typedef PeakType::CoordinateType	CoordinateType
	Coordinate (m/z) type. More...

typedef std::vector< PeakType >	ContainerType
	Spectrum base type. More...

typedef std::vector< FloatDataArray >	FloatDataArrays
	Float data array vector type. More...

typedef std::vector< StringDataArray >	StringDataArrays
	String data array vector type. More...

typedef std::vector< IntegerDataArray >	IntegerDataArrays
	Integer data array vector type. More...

Peak container iterator type definitions
typedef ContainerType::iterator	Iterator
	Mutable iterator. More...

typedef ContainerType::const_iterator	ConstIterator
	Non-mutable iterator. More...

typedef ContainerType::reverse_iterator	ReverseIterator
	Mutable reverse iterator. More...

typedef ContainerType::const_reverse_iterator	ConstReverseIterator
	Non-mutable reverse iterator. More...

Public Types inherited from RangeManager< 1 >
enum
	Dimension of the position range. More...

typedef DRange< D >	PositionRangeType
	Position range type. More...

typedef DPosition< D >	PositionType
	Position Type. More...

typedef DRange< 1 >	IntensityRangeType
	Intensity range type. More...

Public Types inherited from SpectrumSettings
enum	SpectrumType { UNKNOWN, PEAKS, RAWDATA, SIZE_OF_SPECTRUMTYPE }
	Spectrum peak type. More...

Public Member Functions
	MSSpectrum ()
	Constructor. More...

	MSSpectrum (const MSSpectrum &source)
	Copy constructor. More...

	~MSSpectrum ()
	Destructor. More...

MSSpectrum &	operator= (const MSSpectrum &source)
	Assignment operator. More...

bool	operator== (const MSSpectrum &rhs) const
	Equality operator. More...

bool	operator!= (const MSSpectrum &rhs) const
	Equality operator. More...

virtual void	updateRanges ()
	Updates minimum and maximum position/intensity. More...

void	clear (bool clear_meta_data)
	Clears all data and meta data. More...

Accessors for meta information
Returns the absolute retention time (is seconds)
double	getRT () const

void	setRT (double rt)
	Sets the absolute retention time (is seconds) More...

UInt	getMSLevel () const
	Returns the MS level. More...

void	setMSLevel (UInt ms_level)
	Sets the MS level. More...

const String &	getName () const
	Returns the name. More...

void	setName (const String &name)
	Sets the name. More...

Peak data array methods
These methods are used to annotate each peak in a spectrum with meta information. It is an intermediate way between storing the information in the peak's MetaInfoInterface and deriving a new peak type with members for this information. These statements should help you chose which approach to use Access to meta info arrays is slower than to a member variable Access to meta info arrays is faster than to a MetaInfoInterface Meta info arrays are stored when using mzML format for storing
const FloatDataArrays &	getFloatDataArrays () const
	Returns a const reference to the float meta data arrays. More...

FloatDataArrays &	getFloatDataArrays ()
	Returns a mutable reference to the float meta data arrays. More...

const StringDataArrays &	getStringDataArrays () const
	Returns a const reference to the string meta data arrays. More...

StringDataArrays &	getStringDataArrays ()
	Returns a mutable reference to the string meta data arrays. More...

const IntegerDataArrays &	getIntegerDataArrays () const
	Returns a const reference to the integer meta data arrays. More...

IntegerDataArrays &	getIntegerDataArrays ()
	Returns a mutable reference to the integer meta data arrays. More...

Sorting peaks
void	sortByIntensity (bool reverse=false)
	Lexicographically sorts the peaks by their intensity. More...

void	sortByPosition ()
	Lexicographically sorts the peaks by their position. More...

bool	isSorted () const
	Checks if all peaks are sorted with respect to ascending m/z. More...

Searching a peak or peak range
Size	findNearest (CoordinateType mz) const
	Binary search for the peak nearest to a specific m/z. More...

Iterator	MZBegin (CoordinateType mz)
	Binary search for peak range begin. More...

Iterator	MZBegin (Iterator begin, CoordinateType mz, Iterator end)
	Binary search for peak range begin. More...

Iterator	MZEnd (CoordinateType mz)
	Binary search for peak range end (returns the past-the-end iterator) More...

Iterator	MZEnd (Iterator begin, CoordinateType mz, Iterator end)
	Binary search for peak range end (returns the past-the-end iterator) More...

ConstIterator	MZBegin (CoordinateType mz) const
	Binary search for peak range begin. More...

ConstIterator	MZBegin (ConstIterator begin, CoordinateType mz, ConstIterator end) const
	Binary search for peak range begin. More...

ConstIterator	MZEnd (CoordinateType mz) const
	Binary search for peak range end (returns the past-the-end iterator) More...

ConstIterator	MZEnd (ConstIterator begin, CoordinateType mz, ConstIterator end) const
	Binary search for peak range end (returns the past-the-end iterator) More...

Public Member Functions inherited from RangeManager< 1 >
	RangeManager ()
	Default constructor. More...

	RangeManager (const RangeManager &rhs)
	Copy constructor. More...

virtual	~RangeManager ()
	Destructor. More...

RangeManager &	operator= (const RangeManager &rhs)
	Assignment operator. More...

bool	operator== (const RangeManager &rhs) const
	Equality operator. More...

bool	operator!= (const RangeManager &rhs) const
	Equality operator. More...

const PositionType &	getMin () const
	Returns the minimum position. More...

const PositionType &	getMax () const
	Returns the maximum position. More...

double	getMinInt () const
	Returns the minimum intensity. More...

double	getMaxInt () const
	Returns the maximum intensity. More...

void	clearRanges ()
	Resets the ranges. More...

Public Member Functions inherited from SpectrumSettings
	SpectrumSettings ()
	Constructor. More...

	SpectrumSettings (const SpectrumSettings &source)
	Copy constructor. More...

	~SpectrumSettings ()
	Destructor. More...

SpectrumSettings &	operator= (const SpectrumSettings &source)

bool	operator== (const SpectrumSettings &rhs) const
	Equality operator. More...

bool	operator!= (const SpectrumSettings &rhs) const
	Equality operator. More...

void	unify (const SpectrumSettings &rhs)
	merge another spectrum setting into this one (data is usually appended, except for spectrum type which needs to be unambiguous to be kept) More...

SpectrumType	getType () const
	returns the spectrum type More...

void	setType (SpectrumType type)
	sets the spectrum type More...

const String &	getNativeID () const
	returns the native identifier for the spectrum, used by the acquisition software. More...

void	setNativeID (const String &native_id)
	sets the native identifier for the spectrum, used by the acquisition software. More...

const String &	getComment () const
	returns the free-text comment More...

void	setComment (const String &comment)
	sets the free-text comment More...

const InstrumentSettings &	getInstrumentSettings () const
	returns a const reference to the instrument settings of the current spectrum More...

InstrumentSettings &	getInstrumentSettings ()
	returns a mutable reference to the instrument settings of the current spectrum More...

void	setInstrumentSettings (const InstrumentSettings &instrument_settings)
	sets the instrument settings of the current spectrum More...

const AcquisitionInfo &	getAcquisitionInfo () const
	returns a const reference to the acquisition info More...

AcquisitionInfo &	getAcquisitionInfo ()
	returns a mutable reference to the acquisition info More...

void	setAcquisitionInfo (const AcquisitionInfo &acquisition_info)
	sets the acquisition info More...

const SourceFile &	getSourceFile () const
	returns a const reference to the source file More...

SourceFile &	getSourceFile ()
	returns a mutable reference to the source file More...

void	setSourceFile (const SourceFile &source_file)
	sets the source file More...

const std::vector< Precursor > &	getPrecursors () const
	returns a const reference to the precursors More...

std::vector< Precursor > &	getPrecursors ()
	returns a mutable reference to the precursors More...

void	setPrecursors (const std::vector< Precursor > &precursors)
	sets the precursors More...

const std::vector< Product > &	getProducts () const
	returns a const reference to the products More...

std::vector< Product > &	getProducts ()
	returns a mutable reference to the products More...

void	setProducts (const std::vector< Product > &products)
	sets the products More...

const std::vector< PeptideIdentification > &	getPeptideIdentifications () const
	returns a const reference to the PeptideIdentification vector More...

std::vector< PeptideIdentification > &	getPeptideIdentifications ()
	returns a mutable reference to the PeptideIdentification vector More...

void	setPeptideIdentifications (const std::vector< PeptideIdentification > &identifications)
	sets the PeptideIdentification vector More...

const std::vector< DataProcessing > &	getDataProcessing () const
	returns a const reference to the description of the applied processing More...

std::vector< DataProcessing > &	getDataProcessing ()
	returns a mutable reference to the description of the applied processing More...

void	setDataProcessing (const std::vector< DataProcessing > &data_processing)
	sets the description of the applied processing More...

Public Member Functions inherited from MetaInfoInterface
	MetaInfoInterface ()
	constructor More...

	MetaInfoInterface (const MetaInfoInterface &rhs)
	copy constructor More...

	~MetaInfoInterface ()
	destructor More...

MetaInfoInterface &	operator= (const MetaInfoInterface &rhs)
	assignment operator More...

bool	operator== (const MetaInfoInterface &rhs) const
	Equality operator. More...

bool	operator!= (const MetaInfoInterface &rhs) const
	Equality operator. More...

const DataValue &	getMetaValue (const String &name) const
	returns the value corresponding to a string More...

const DataValue &	getMetaValue (UInt index) const
	returns the value corresponding to an index More...

bool	metaValueExists (const String &name) const
	returns if this MetaInfo is set More...

bool	metaValueExists (UInt index) const
	returns if this MetaInfo is set More...

void	setMetaValue (const String &name, const DataValue &value)
	sets the DataValue corresponding to a name More...

void	setMetaValue (UInt index, const DataValue &value)
	sets the DataValue corresponding to an index More...

void	removeMetaValue (const String &name)
	Removes the DataValue corresponding to `name` if it exists. More...

void	removeMetaValue (UInt index)
	Removes the DataValue corresponding to `index` if it exists. More...

void	getKeys (std::vector< String > &keys) const
	fills the given vector with a list of all keys for which a value is set More...

void	getKeys (std::vector< UInt > &keys) const
	fills the given vector with a list of all keys for which a value is set More...

bool	isMetaEmpty () const
	returns if the MetaInfo is empty More...

void	clearMetaInfo ()
	removes all meta values More...

Protected Attributes
double	retention_time_
	Retention time. More...

UInt	ms_level_
	MS level. More...

String	name_
	Name. More...

FloatDataArrays	float_data_arrays_
	Float data arrays. More...

StringDataArrays	string_data_arrays_
	String data arrays. More...

IntegerDataArrays	integer_data_arrays_
	Integer data arrays. More...

Protected Attributes inherited from RangeManager< 1 >
IntensityRangeType	int_range_
	Intensity range (1-dimensional) More...

PositionRangeType	pos_range_
	Position range (D-dimensional) More...

Protected Attributes inherited from SpectrumSettings
SpectrumType	type_

String	native_id_

String	comment_

InstrumentSettings	instrument_settings_

SourceFile	source_file_

AcquisitionInfo	acquisition_info_

std::vector< Precursor >	precursors_

std::vector< Product >	products_

std::vector< PeptideIdentification >	identification_

std::vector< DataProcessing >	data_processing_

Protected Attributes inherited from MetaInfoInterface
MetaInfo *	meta_
	pointer to the MetaInfo object. 0 by default More...

Additional Inherited Members
Static Public Member Functions inherited from MetaInfoInterface
static MetaInfoRegistry &	metaRegistry ()
	returns a reference to the MetaInfoRegistry More...

Static Public Attributes inherited from SpectrumSettings
static const std::string	NamesOfSpectrumType [SIZE_OF_SPECTRUMTYPE]
	Names of spectrum types. More...

Protected Member Functions inherited from RangeManager< 1 >
void	updateRanges_ (const PeakIteratorType &begin, const PeakIteratorType &end)
	Updates the range using data points in the iterator range. More...

Protected Member Functions inherited from MetaInfoInterface
void	createIfNotExists_ ()
	creates the MetaInfo object if it does not exist More...

Detailed Description

template<typename PeakT = Peak1D>
class OpenMS::MSSpectrum< PeakT >

The representation of a 1D spectrum.

It contains peak data and metadata about specific instrument settings, acquisition settings, description of the meta values used in the peaks and precursor info (SpectrumSettings).

Several MSSpectrum instances are contained in a peak map (MSExperiment), which is essentially a vector of spectra with additional information about the experiment.

Precursor info from SpectrumSettings should only be used if this spectrum is a tandem-MS spectrum. The precursor spectrum is the first spectrum in MSExperiment, that has a lower MS-level than the current spectrum.

Note: For range operations, see RangeUtils module!

Member Typedef Documentation

typedef ContainerType::const_iterator ConstIterator

Non-mutable iterator.

typedef ContainerType::const_reverse_iterator ConstReverseIterator

Non-mutable reverse iterator.

typedef std::vector<PeakType> ContainerType

Spectrum base type.

typedef PeakType::CoordinateType CoordinateType

Coordinate (m/z) type.

typedef std::vector<FloatDataArray> FloatDataArrays

Float data array vector type.

typedef std::vector<IntegerDataArray> IntegerDataArrays

Integer data array vector type.

typedef ContainerType::iterator Iterator

Mutable iterator.

typedef PeakT PeakType

Peak type.

typedef ContainerType::reverse_iterator ReverseIterator

Mutable reverse iterator.

typedef std::vector<StringDataArray> StringDataArrays

String data array vector type.

Constructor & Destructor Documentation

MSSpectrum ( )

inline

Constructor.

MSSpectrum ( const MSSpectrum< PeakT > & source )

inline

Copy constructor.

~MSSpectrum ( )

inline

Destructor.

Member Function Documentation

void clear ( bool clear_meta_data )

inline

Clears all data and meta data.

Parameters

clear_meta_data If true, all meta data is cleared in addition to the data.

Referenced by SpectraMerger::averageCentroidSpectra_(), SpectraMerger::averageProfileSpectra_(), MSDataCachedConsumer::consumeSpectrum(), IDEvaluationBase::getPoints(), MS2File::load(), XMassFile::load(), DTA2DFile::load(), PeakPickerHiRes::pick(), and PeakPickerIterative::pick().

Size findNearest ( CoordinateType mz ) const

inline

Binary search for the peak nearest to a specific m/z.

Parameters

mz	The searched for mass-to-charge ratio searched

Returns: Returns the index of the peak.

Note: Make sure the spectrum is sorted with respect to m/z! Otherwise the result is undefined.

Exceptions

Exception::Precondition is thrown if the spectrum is empty (not only in debug mode)

Referenced by SimpleSearchEngine::computeHyperScore().

const FloatDataArrays& getFloatDataArrays ( ) const

inline

Returns a const reference to the float meta data arrays.

Referenced by MetaDataBrowser::add(), MzMLHandler< MSExperiment<> >::addSpectrumMetaData_(), MzDataHandler< MapType >::characters(), MzDataHandler< MapType >::fillData_(), TwoDOptimization::optimizeRegionsScanwise_(), DataFilters::passes(), PeakPickerIterative::pick(), MzMLHandler< MSExperiment<> >::populateSpectraWithData_(), MSSpectrum< RichPeak1D >::setName(), MzDataHandler< MapType >::startElement(), MzMLHandler< MapType >::writeSpectrum_(), and MzDataHandler< MapType >::writeTo().

FloatDataArrays& getFloatDataArrays ( )

inline

Returns a mutable reference to the float meta data arrays.

const IntegerDataArrays& getIntegerDataArrays ( ) const

inline

Returns a const reference to the integer meta data arrays.

Referenced by MetaDataBrowser::add(), MzMLHandler< MSExperiment<> >::addSpectrumMetaData_(), DataFilters::passes(), MzMLHandler< MSExperiment<> >::populateSpectraWithData_(), and MzMLHandler< MapType >::writeSpectrum_().

IntegerDataArrays& getIntegerDataArrays ( )

inline

Returns a mutable reference to the integer meta data arrays.

UInt getMSLevel ( ) const

inline

Returns the MS level.

For survey scans this is 1, for MS/MS scans 2, ...

Referenced by FullSwathFileConsumer::consumeSpectrum(), SwathFile::countScansInSwath_(), MzDataHandler< MapType >::cvParam_(), MzMLHandler< MapType >::handleCVParam_(), PeakPickerHiRes::pick(), PeakPickerIterative::pick(), MzDataHandler< MapType >::startElement(), MzMLHandler< MapType >::writeSpectrum_(), MzDataHandler< MapType >::writeTo(), and MzXMLHandler< MapType >::writeTo().

const String& getName ( ) const

inline

Returns the name.

Referenced by PeakPickerHiRes::pick(), and PeakPickerIterative::pick().

double getRT ( ) const

inline

Referenced by IsotopeWaveletTransform< PeakType >::checkPositionForPlausibility_(), MzDataHandler< MapType >::cvParam_(), GaussFilter::filter(), MzMLHandler< MapType >::handleCVParam_(), IsotopeWaveletTransform< PeakType >::identifyCharge(), IsotopeWaveletTransform< PeakType >::initializeScan(), DTA2DFile::load(), TOPPRNPxl::main_(), OfflinePrecursorIonSelection::makePrecursorSelectionForKnownLCMSMap(), SpectraMerger::mergeSpectra_(), MSSpectrum< PeakT >::RTLess::operator()(), PeakPickerHiRes::pick(), PeakPickerIterative::pick(), MzMLHandler< MapType >::writeSpectrum_(), MzDataHandler< MapType >::writeTo(), and MzXMLHandler< MapType >::writeTo().

const StringDataArrays& getStringDataArrays ( ) const

inline

Returns a const reference to the string meta data arrays.

Referenced by MetaDataBrowser::add(), MzMLHandler< MSExperiment<> >::addSpectrumMetaData_(), MzMLHandler< MSExperiment<> >::populateSpectraWithData_(), and MzMLHandler< MapType >::writeSpectrum_().

StringDataArrays& getStringDataArrays ( )

inline

Returns a mutable reference to the string meta data arrays.

bool isSorted ( ) const

inline

Checks if all peaks are sorted with respect to ascending m/z.

Referenced by MRMTransitionGroupPicker::pickTransitionGroup().

Iterator MZBegin ( CoordinateType mz )

inline

Binary search for peak range begin.

Note: Make sure the spectrum is sorted with respect to m/z! Otherwise the result is undefined.

Referenced by IsotopeWaveletTransform< PeakType >::checkPositionForPlausibility_(), IsotopeWaveletTransform< PeakType >::checkPPMTheoModel_(), MSSpectrum< RichPeak1D >::findNearest(), IsotopeWaveletTransform< PeakType >::identifyCharge(), IsotopeWaveletTransform< PeakType >::initializeScan(), IsotopeWaveletTransform< PeakType >::mapSeeds2Features(), IsotopeWaveletTransform< PeakType >::TransSpectrum::MZBegin(), and IsotopeWaveletTransform< PeakType >::scoreThis_().

Iterator MZBegin	(	Iterator	begin,
		CoordinateType	mz,
		Iterator	end
	)

inline

Binary search for peak range begin.

Note: Make sure the spectrum is sorted with respect to m/z! Otherwise the result is undefined.

ConstIterator MZBegin ( CoordinateType mz ) const

inline

Binary search for peak range begin.

Note: Make sure the spectrum is sorted with respect to m/z! Otherwise the result is undefined.

ConstIterator MZBegin	(	ConstIterator	begin,
		CoordinateType	mz,
		ConstIterator	end
	)		const

inline

Binary search for peak range begin.

Note: Make sure the spectrum is sorted with respect to m/z! Otherwise the result is undefined.

Iterator MZEnd ( CoordinateType mz )

inline

Binary search for peak range end (returns the past-the-end iterator)

Note: Make sure the spectrum is sorted with respect to m/z. Otherwise the result is undefined.

Referenced by SignalToNoiseOpenMS< PeakT >::getValueAtRT(), IsotopeWaveletTransform< PeakType >::identifyCharge(), IsotopeWaveletTransform< PeakType >::initializeScan(), and IsotopeWaveletTransform< PeakType >::TransSpectrum::MZEnd().

Iterator MZEnd	(	Iterator	begin,
		CoordinateType	mz,
		Iterator	end
	)

inline

Binary search for peak range end (returns the past-the-end iterator)

Note: Make sure the spectrum is sorted with respect to m/z. Otherwise the result is undefined.

ConstIterator MZEnd ( CoordinateType mz ) const

inline

Binary search for peak range end (returns the past-the-end iterator)

Note: Make sure the spectrum is sorted with respect to m/z. Otherwise the result is undefined.

ConstIterator MZEnd	(	ConstIterator	begin,
		CoordinateType	mz,
		ConstIterator	end
	)		const

inline

Binary search for peak range end (returns the past-the-end iterator)

Note: Make sure the spectrum is sorted with respect to m/z. Otherwise the result is undefined.

bool operator!= ( const MSSpectrum< PeakT > & rhs ) const

inline

Equality operator.

MSSpectrum& operator= ( const MSSpectrum< PeakT > & source )

inline

Assignment operator.

bool operator== ( const MSSpectrum< PeakT > & rhs ) const

inline

Equality operator.

void setMSLevel ( UInt ms_level )

inline

Sets the MS level.

Referenced by MzDataHandler< MapType >::cvParam_(), MzMLHandler< MapType >::handleCVParam_(), MS2File::load(), MascotInfile::load(), XMassFile::load(), MascotGenericFile::load(), OfflinePrecursorIonSelection::makePrecursorSelectionForKnownLCMSMap(), SpectraMerger::mergeSpectra_(), PeakPickerHiRes::pick(), PeakPickerIterative::pick(), MSExperiment< SimPointType >::set2DData(), TOPPViewBase::showSpectrumGenerationDialog(), and MzDataHandler< MapType >::startElement().

void setName ( const String & name )

inline

Sets the name.

Referenced by XMassFile::load(), TOPPRNPxl::main_(), PeakPickerHiRes::pick(), and PeakPickerIterative::pick().

void setRT ( double rt )

inline

Sets the absolute retention time (is seconds)

Referenced by MzDataHandler< MapType >::cvParam_(), MzMLHandler< MapType >::endElement(), TwoDOptimization::getRegionEndpoints_(), MzMLHandler< MapType >::handleCVParam_(), MascotInfile::load(), XMassFile::load(), DTA2DFile::load(), TOPPRNPxl::main_(), OfflinePrecursorIonSelection::makePrecursorSelectionForKnownLCMSMap(), SpectraMerger::mergeSpectra_(), TwoDOptimization::optimize(), PeakPickerHiRes::pick(), PeakPickerIterative::pick(), MSExperiment< SimPointType >::RTBegin(), MSExperiment< SimPointType >::RTEnd(), and MSExperiment< SimPointType >::set2DData().

void sortByIntensity ( bool reverse = false )

inline

Lexicographically sorts the peaks by their intensity.

Sorts the peaks according to ascending intensity. Meta data arrays will be sorted accordingly.

Referenced by IsotopeWaveletTransform< PeakType >::identifyCharge(), OfflinePrecursorIonSelection::makePrecursorSelectionForKnownLCMSMap(), and MRMTransitionGroupPicker::pickTransitionGroup().

void sortByPosition ( )

inline

Lexicographically sorts the peaks by their position.

The spectrum is sorted with respect to position. Meta data arrays will be sorted accordingly.

Referenced by MarkerIonExtractor::extractMarkerIons(), SimpleSearchEngine::main_(), SpectraMerger::mergeSpectra_(), PeakPickerIterative::pick(), PeakPickerHiRes::pickExperiment(), and MRMTransitionGroupPicker::pickTransitionGroup().

virtual void updateRanges ( )

inlinevirtual

Updates minimum and maximum position/intensity.

This method is usually implemented by calling clearRanges() and updateRanges_().

Implements RangeManager< 1 >.

Member Data Documentation

FloatDataArrays float_data_arrays_

protected

Float data arrays.

Referenced by MSSpectrum< RichPeak1D >::clear(), MSSpectrum< RichPeak1D >::getFloatDataArrays(), MSSpectrum< RichPeak1D >::operator=(), MSSpectrum< RichPeak1D >::operator==(), MSSpectrum< RichPeak1D >::setName(), MSSpectrum< RichPeak1D >::sortByIntensity(), and MSSpectrum< RichPeak1D >::sortByPosition().

IntegerDataArrays integer_data_arrays_

protected

Integer data arrays.

Referenced by MSSpectrum< RichPeak1D >::clear(), MSSpectrum< RichPeak1D >::getIntegerDataArrays(), MSSpectrum< RichPeak1D >::operator=(), MSSpectrum< RichPeak1D >::operator==(), MSSpectrum< RichPeak1D >::sortByIntensity(), and MSSpectrum< RichPeak1D >::sortByPosition().

UInt ms_level_

protected

MS level.

Referenced by MSSpectrum< RichPeak1D >::clear(), MSSpectrum< RichPeak1D >::getMSLevel(), MSSpectrum< RichPeak1D >::operator=(), MSSpectrum< RichPeak1D >::operator==(), and MSSpectrum< RichPeak1D >::setMSLevel().

String name_

protected

Name.

Referenced by MSSpectrum< RichPeak1D >::operator=().

double retention_time_

protected

Retention time.

Referenced by MSSpectrum< RichPeak1D >::clear(), MSSpectrum< RichPeak1D >::getRT(), MSSpectrum< RichPeak1D >::operator=(), MSSpectrum< RichPeak1D >::operator==(), and MSSpectrum< RichPeak1D >::setRT().

StringDataArrays string_data_arrays_

protected

String data arrays.

Referenced by MSSpectrum< RichPeak1D >::clear(), MSSpectrum< RichPeak1D >::getStringDataArrays(), MSSpectrum< RichPeak1D >::operator=(), MSSpectrum< RichPeak1D >::operator==(), MSSpectrum< RichPeak1D >::sortByIntensity(), and MSSpectrum< RichPeak1D >::sortByPosition().

Classes

Public Types

Public Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

template<typename PeakT = Peak1D> class OpenMS::MSSpectrum< PeakT >

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation

template<typename PeakT = Peak1D>
class OpenMS::MSSpectrum< PeakT >