Descripton of a mass analyzer (part of a MS Instrument). More...

#include <OpenMS/METADATA/MassAnalyzer.h>

Inheritance diagram for MassAnalyzer:

Public Types
enum	AnalyzerType { ANALYZERNULL, QUADRUPOLE, PAULIONTRAP, RADIALEJECTIONLINEARIONTRAP, AXIALEJECTIONLINEARIONTRAP, TOF, SECTOR, FOURIERTRANSFORM, IONSTORAGE, ESA, IT, SWIFT, CYCLOTRON, ORBITRAP, LIT, SIZE_OF_ANALYZERTYPE }
	analyzer type More...
enum	ResolutionMethod { RESMETHNULL, FWHM, TENPERCENTVALLEY, BASELINE, SIZE_OF_RESOLUTIONMETHOD }
	resolution method More...
enum	ResolutionType { RESTYPENULL, CONSTANT, PROPORTIONAL, SIZE_OF_RESOLUTIONTYPE }
	Resolution type. More...
enum	ScanDirection { SCANDIRNULL, UP, DOWN, SIZE_OF_SCANDIRECTION }
	direction of scanning More...
enum	ScanLaw { SCANLAWNULL, EXPONENTIAL, LINEAR, QUADRATIC, SIZE_OF_SCANLAW }
	Scan law. More...
enum	ReflectronState { REFLSTATENULL, ON, OFF, NONE, SIZE_OF_REFLECTRONSTATE }
	Reflectron state. More...
Public Member Functions
	MassAnalyzer ()
	Constructor.
	MassAnalyzer (const MassAnalyzer &source)
	Copy constructor.
	~MassAnalyzer ()
	Destructor.
MassAnalyzer &	operator= (const MassAnalyzer &source)
	Assignment operator.
bool	operator== (const MassAnalyzer &rhs) const
	Equality operator.
bool	operator!= (const MassAnalyzer &rhs) const
	Equality operator.
AnalyzerType	getType () const
	returns the analyzer type
void	setType (AnalyzerType type)
	sets the analyzer type
ResolutionMethod	getResolutionMethod () const
	returns the method used for determination of the resolution
void	setResolutionMethod (ResolutionMethod resolution_method)
	sets the method used for determination of the resolution
ResolutionType	getResolutionType () const
	returns the resolution type
void	setResolutionType (ResolutionType resolution_type)
	sets the resolution type
ScanDirection	getScanDirection () const
	returns the direction of scanning
void	setScanDirection (ScanDirection scan_direction)
	sets the direction of scanning
ScanLaw	getScanLaw () const
	returns the scan law
void	setScanLaw (ScanLaw scan_law)
	sets the scan law
ReflectronState	getReflectronState () const
	returns the reflectron state (for TOF)
void	setReflectronState (ReflectronState reflecton_state)
	sets the reflectron state (for TOF)
DoubleReal	getResolution () const
	returns the resolution
void	setResolution (DoubleReal resolution)
	sets the resolution
DoubleReal	getAccuracy () const
	returns the mass accuracy i.e. how much the theoretical mass may differ from the measured mass (in ppm)
void	setAccuracy (DoubleReal accuracy)
	sets the accuracy i.e. how much the theoretical mass may differ from the measured mass (in ppm)
DoubleReal	getScanRate () const
	returns the scan rate (in s)
void	setScanRate (DoubleReal scan_rate)
	sets the scan rate (in s)
DoubleReal	getScanTime () const
	returns the scan time for a single scan (in s)
void	setScanTime (DoubleReal scan_time)
	sets the scan time for a single scan (in s)
DoubleReal	getTOFTotalPathLength () const
	returns the path length for a TOF mass analyzer (in meter)
void	setTOFTotalPathLength (DoubleReal TOF_total_path_length)
	sets the path length for a TOF mass analyzer (in meter)
DoubleReal	getIsolationWidth () const
	returns the isolation width i.e. in which m/z range the precursor ion is selected for MS to the n (in m/z)
void	setIsolationWidth (DoubleReal isolation_width)
	sets the isolation width i.e. in which m/z range the precursor ion is selected for MS to the n (in m/z)
Int	getFinalMSExponent () const
	returns the final MS exponent
void	setFinalMSExponent (Int final_MS_exponent)
	sets the final MS exponent
DoubleReal	getMagneticFieldStrength () const
	returns the strength of the magnetic field (in T)
void	setMagneticFieldStrength (DoubleReal magnetic_field_strength)
	sets the strength of the magnetic field (in T)
Int	getOrder () const
	returns the position of this part in the whole Instrument.
void	setOrder (Int order)
	sets the order
Static Public Attributes
static const std::string	NamesOfAnalyzerType [SIZE_OF_ANALYZERTYPE]
	Names of the analyzer types.
static const std::string	NamesOfResolutionMethod [SIZE_OF_RESOLUTIONMETHOD]
	Names of resolustion methods.
static const std::string	NamesOfResolutionType [SIZE_OF_RESOLUTIONTYPE]
	Names of resulution type.
static const std::string	NamesOfScanDirection [SIZE_OF_SCANDIRECTION]
	Names of direction of scanning.
static const std::string	NamesOfScanLaw [SIZE_OF_SCANLAW]
	Names of scan laws.
static const std::string	NamesOfReflectronState [SIZE_OF_REFLECTRONSTATE]
	Names of reclectron states.
Protected Attributes
AnalyzerType	type_
ResolutionMethod	resolution_method_
ResolutionType	resolution_type_
ScanDirection	scan_direction_
ScanLaw	scan_law_
ReflectronState	reflectron_state_
DoubleReal	resolution_
DoubleReal	accuracy_
DoubleReal	scan_rate_
DoubleReal	scan_time_
DoubleReal	TOF_total_path_length_
DoubleReal	isolation_width_
Int	final_MS_exponent_
DoubleReal	magnetic_field_strength_
Int	order_

Detailed Description

Descripton of a mass analyzer (part of a MS Instrument).

Member Enumeration Documentation

enum AnalyzerType

analyzer type

Enumerator:

ANALYZERNULL	Unknown.
QUADRUPOLE	Quadrupole.
PAULIONTRAP	Quadrupole ion trap / Paul ion trap.
RADIALEJECTIONLINEARIONTRAP	Radial ejection linear ion trap.
AXIALEJECTIONLINEARIONTRAP	Axial ejection linear ion trap.
TOF	Time-of-flight.
SECTOR	Magnetic sector.
FOURIERTRANSFORM	Fourier transform ion cyclotron resonance mass spectrometer.
IONSTORAGE	Ion storage.
ESA	Electrostatic energy analyzer.
IT	Ion trap.
SWIFT	Stored waveform inverse fourier transform.
CYCLOTRON	Cyclotron.
ORBITRAP	Orbitrap.
LIT	Linear ion trap.
SIZE_OF_ANALYZERTYPE

enum ReflectronState

Reflectron state.

Enumerator:

REFLSTATENULL	Unknown.
ON	On.
OFF	Off.
NONE	None.
SIZE_OF_REFLECTRONSTATE

enum ResolutionMethod

resolution method

Which of the available standard measures is used to define whether two peaks are separate

Enumerator:

RESMETHNULL	Unknown.
FWHM	Full width at half max.
TENPERCENTVALLEY	Ten percent valley.
BASELINE	Baseline.
SIZE_OF_RESOLUTIONMETHOD

enum ResolutionType

Resolution type.

Enumerator:

RESTYPENULL	Unknown.
CONSTANT	Constant.
PROPORTIONAL	Proportional.
SIZE_OF_RESOLUTIONTYPE

enum ScanDirection

direction of scanning

Enumerator:

SCANDIRNULL	Unknown.
UP	Up.
DOWN	Down.
SIZE_OF_SCANDIRECTION

enum ScanLaw

Scan law.

Enumerator:

SCANLAWNULL	Unknown.
EXPONENTIAL	Unknown.
LINEAR	Linear.
QUADRATIC	Quadratic.
SIZE_OF_SCANLAW

Constructor & Destructor Documentation

MassAnalyzer ( )

Constructor.

MassAnalyzer ( const MassAnalyzer & source )

Copy constructor.

~MassAnalyzer ( )

Destructor.

Member Function Documentation

DoubleReal getAccuracy ( ) const

returns the mass accuracy i.e. how much the theoretical mass may differ from the measured mass (in ppm)

Referenced by MzMLHandler< MapType >::writeTo(), and MzDataHandler< MapType >::writeTo().

Int getFinalMSExponent ( ) const

returns the final MS exponent

Referenced by MzMLHandler< MapType >::writeTo(), and MzDataHandler< MapType >::writeTo().

DoubleReal getIsolationWidth ( ) const

returns the isolation width i.e. in which m/z range the precursor ion is selected for MS to the n (in m/z)

Referenced by MzDataHandler< MapType >::writeTo().

DoubleReal getMagneticFieldStrength ( ) const

returns the strength of the magnetic field (in T)

Referenced by MzMLHandler< MapType >::writeTo(), and MzDataHandler< MapType >::writeTo().

Int getOrder ( ) const

returns the position of this part in the whole Instrument.

Order can be ignored, as long the instrument has this default setup:

one ion source
one or many mass analyzers
one ion detector

For more complex instuments, the order should be defined.

Referenced by MzMLHandler< MapType >::writeTo().

ReflectronState getReflectronState ( ) const

returns the reflectron state (for TOF)

Referenced by MzMLHandler< MapType >::writeTo(), and MzDataHandler< MapType >::writeTo().

DoubleReal getResolution ( ) const

returns the resolution

The maximum m/z value at which two peaks can be resolved, according to one of the standard measures

Referenced by MzDataHandler< MapType >::writeTo().

ResolutionMethod getResolutionMethod ( ) const

returns the method used for determination of the resolution

Referenced by MzDataHandler< MapType >::writeTo().

ResolutionType getResolutionType ( ) const

returns the resolution type

Referenced by MzDataHandler< MapType >::writeTo().

ScanDirection getScanDirection ( ) const

returns the direction of scanning

Referenced by MzDataHandler< MapType >::writeTo().

ScanLaw getScanLaw ( ) const

returns the scan law

Referenced by MzDataHandler< MapType >::writeTo().

DoubleReal getScanRate ( ) const

returns the scan rate (in s)

Referenced by MzDataHandler< MapType >::writeTo().

DoubleReal getScanTime ( ) const

returns the scan time for a single scan (in s)

Referenced by MzDataHandler< MapType >::writeTo().

DoubleReal getTOFTotalPathLength ( ) const

returns the path length for a TOF mass analyzer (in meter)

Referenced by MzMLHandler< MapType >::writeTo(), and MzDataHandler< MapType >::writeTo().

AnalyzerType getType ( ) const

returns the analyzer type

Referenced by MzMLHandler< MapType >::writeTo(), and MzDataHandler< MapType >::writeTo().

bool operator!= ( const MassAnalyzer & rhs ) const

Equality operator.

MassAnalyzer& operator= ( const MassAnalyzer & source )

Assignment operator.

bool operator== ( const MassAnalyzer & rhs ) const

Equality operator.

void setAccuracy ( DoubleReal accuracy )

sets the accuracy i.e. how much the theoretical mass may differ from the measured mass (in ppm)

Referenced by DBAdapter::loadExperiment().

void setFinalMSExponent ( Int final_MS_exponent )

sets the final MS exponent

Referenced by DBAdapter::loadExperiment().

void setIsolationWidth ( DoubleReal isolation_width )

sets the isolation width i.e. in which m/z range the precursor ion is selected for MS to the n (in m/z)

Referenced by DBAdapter::loadExperiment().

void setMagneticFieldStrength ( DoubleReal magnetic_field_strength )

sets the strength of the magnetic field (in T)

Referenced by DBAdapter::loadExperiment().

void setOrder ( Int order )

sets the order

Referenced by DBAdapter::loadExperiment().

void setReflectronState ( ReflectronState reflecton_state )

sets the reflectron state (for TOF)

Referenced by DBAdapter::loadExperiment().

void setResolution ( DoubleReal resolution )

sets the resolution

Referenced by DBAdapter::loadExperiment().

void setResolutionMethod ( ResolutionMethod resolution_method )

sets the method used for determination of the resolution

Referenced by DBAdapter::loadExperiment().

void setResolutionType ( ResolutionType resolution_type )

sets the resolution type

Referenced by DBAdapter::loadExperiment().

void setScanDirection ( ScanDirection scan_direction )

sets the direction of scanning

Referenced by DBAdapter::loadExperiment().

void setScanLaw ( ScanLaw scan_law )

sets the scan law

Referenced by DBAdapter::loadExperiment().

void setScanRate ( DoubleReal scan_rate )

sets the scan rate (in s)

Referenced by DBAdapter::loadExperiment().

void setScanTime ( DoubleReal scan_time )

sets the scan time for a single scan (in s)

Referenced by DBAdapter::loadExperiment().

void setTOFTotalPathLength ( DoubleReal TOF_total_path_length )

sets the path length for a TOF mass analyzer (in meter)

Referenced by DBAdapter::loadExperiment().

void setType ( AnalyzerType type )

sets the analyzer type

Referenced by DBAdapter::loadExperiment().

Member Data Documentation

DoubleReal accuracy_ [protected]

Int final_MS_exponent_ [protected]

DoubleReal isolation_width_ [protected]

DoubleReal magnetic_field_strength_ [protected]

const std::string NamesOfAnalyzerType[SIZE_OF_ANALYZERTYPE] [static]

Names of the analyzer types.

const std::string NamesOfReflectronState[SIZE_OF_REFLECTRONSTATE] [static]

Names of reclectron states.

const std::string NamesOfResolutionMethod[SIZE_OF_RESOLUTIONMETHOD] [static]

Names of resolustion methods.

const std::string NamesOfResolutionType[SIZE_OF_RESOLUTIONTYPE] [static]

Names of resulution type.

const std::string NamesOfScanDirection[SIZE_OF_SCANDIRECTION] [static]

Names of direction of scanning.

const std::string NamesOfScanLaw[SIZE_OF_SCANLAW] [static]

Names of scan laws.

Int order_ [protected]

ReflectronState reflectron_state_ [protected]

DoubleReal resolution_ [protected]

ResolutionMethod resolution_method_ [protected]

ResolutionType resolution_type_ [protected]

ScanDirection scan_direction_ [protected]

ScanLaw scan_law_ [protected]

DoubleReal scan_rate_ [protected]

DoubleReal scan_time_ [protected]

DoubleReal TOF_total_path_length_ [protected]

AnalyzerType type_ [protected]

OpenMS / TOPP release 1.10.0

Documentation generated on Thu Mar 7 2013 09:42:56 using doxygen 1.7.1

MassAnalyzer Class Reference [Metadata]

Public Types

Public Member Functions

Static Public Attributes

Protected Attributes

Detailed Description

Member Enumeration Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation

MassAnalyzer Class Reference
[Metadata]