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

#include <OpenMS/METADATA/MassAnalyzer.h>

Inheritance diagram for MassAnalyzer:

Collaboration 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. More...

	MassAnalyzer (const MassAnalyzer &)=default
	Copy constructor. More...

	MassAnalyzer (MassAnalyzer &&)=default
	Move constructor. More...

	~MassAnalyzer ()
	Destructor. More...

MassAnalyzer &	operator= (const MassAnalyzer &)=default
	Assignment operator. More...

MassAnalyzer &	operator= (MassAnalyzer &&) &=default
	Move assignment operator. More...

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

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

AnalyzerType	getType () const
	returns the analyzer type More...

void	setType (AnalyzerType type)
	sets the analyzer type More...

ResolutionMethod	getResolutionMethod () const
	returns the method used for determination of the resolution More...

void	setResolutionMethod (ResolutionMethod resolution_method)
	sets the method used for determination of the resolution More...

ResolutionType	getResolutionType () const
	returns the resolution type More...

void	setResolutionType (ResolutionType resolution_type)
	sets the resolution type More...

ScanDirection	getScanDirection () const
	returns the direction of scanning More...

void	setScanDirection (ScanDirection scan_direction)
	sets the direction of scanning More...

ScanLaw	getScanLaw () const
	returns the scan law More...

void	setScanLaw (ScanLaw scan_law)
	sets the scan law More...

ReflectronState	getReflectronState () const
	returns the reflectron state (for TOF) More...

void	setReflectronState (ReflectronState reflecton_state)
	sets the reflectron state (for TOF) More...

double	getResolution () const
	returns the resolution More...

void	setResolution (double resolution)
	sets the resolution More...

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

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

double	getScanRate () const
	returns the scan rate (in s) More...

void	setScanRate (double scan_rate)
	sets the scan rate (in s) More...

double	getScanTime () const
	returns the scan time for a single scan (in s) More...

void	setScanTime (double scan_time)
	sets the scan time for a single scan (in s) More...

double	getTOFTotalPathLength () const
	returns the path length for a TOF mass analyzer (in meter) More...

void	setTOFTotalPathLength (double TOF_total_path_length)
	sets the path length for a TOF mass analyzer (in meter) More...

double	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) More...

void	setIsolationWidth (double 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) More...

Int	getFinalMSExponent () const
	returns the final MS exponent More...

void	setFinalMSExponent (Int final_MS_exponent)
	sets the final MS exponent More...

double	getMagneticFieldStrength () const
	returns the strength of the magnetic field (in T) More...

void	setMagneticFieldStrength (double magnetic_field_strength)
	sets the strength of the magnetic field (in T) More...

Int	getOrder () const
	returns the position of this part in the whole Instrument. More...

void	setOrder (Int order)
	sets the order More...

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

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

	MetaInfoInterface (MetaInfoInterface &&) noexcept
	Move constructor. More...

	~MetaInfoInterface ()
	Destructor. More...

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

MetaInfoInterface &	operator= (MetaInfoInterface &&) noexcept
	Move 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 DataValue &default_value=DataValue::EMPTY) const
	Returns the value corresponding to a string, or a default value (default: DataValue::EMPTY) if not found. More...

const DataValue &	getMetaValue (UInt index, const DataValue &default_value=DataValue::EMPTY) const
	Returns the value corresponding to an index, or a default value (default: DataValue::EMPTY) if not found. More...

bool	metaValueExists (const String &name) const
	Returns whether an entry with the given name exists. More...

bool	metaValueExists (UInt index) const
	Returns whether an entry with the given index exists. 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	addMetaValues (const MetaInfoInterface &from)
	function to copy all meta values from one object to this one 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...

Static Public Attributes
static const std::string	NamesOfAnalyzerType [SIZE_OF_ANALYZERTYPE]
	Names of the analyzer types. More...

static const std::string	NamesOfResolutionMethod [SIZE_OF_RESOLUTIONMETHOD]
	Names of resolution methods. More...

static const std::string	NamesOfResolutionType [SIZE_OF_RESOLUTIONTYPE]
	Names of resolution type. More...

static const std::string	NamesOfScanDirection [SIZE_OF_SCANDIRECTION]
	Names of direction of scanning. More...

static const std::string	NamesOfScanLaw [SIZE_OF_SCANLAW]
	Names of scan laws. More...

static const std::string	NamesOfReflectronState [SIZE_OF_REFLECTRONSTATE]
	Names of reflectron states. More...

Protected Attributes
AnalyzerType	type_

ResolutionMethod	resolution_method_

ResolutionType	resolution_type_

ScanDirection	scan_direction_

ScanLaw	scan_law_

ReflectronState	reflectron_state_

double	resolution_

double	accuracy_

double	scan_rate_

double	scan_time_

double	TOF_total_path_length_

double	isolation_width_

Int	final_MS_exponent_

double	magnetic_field_strength_

Int	order_

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...

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

Detailed Description

Description of a mass analyzer (part of a MS Instrument)

Member Enumeration Documentation

◆ AnalyzerType

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

◆ ReflectronState

enum ReflectronState

Reflectron state.

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

◆ ResolutionMethod

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

◆ ResolutionType

enum ResolutionType

Resolution type.

Enumerator
RESTYPENULL	Unknown.
CONSTANT	Constant.
PROPORTIONAL	Proportional.
SIZE_OF_RESOLUTIONTYPE

◆ ScanDirection

enum ScanDirection

direction of scanning

Enumerator
SCANDIRNULL	Unknown.
UP	Up.
DOWN	Down.
SIZE_OF_SCANDIRECTION

◆ ScanLaw

enum ScanLaw

Scan law.

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

Constructor & Destructor Documentation

◆ MassAnalyzer() [1/3]

MassAnalyzer ( )

Constructor.

◆ MassAnalyzer() [2/3]

MassAnalyzer ( const MassAnalyzer & )

default

Copy constructor.

◆ MassAnalyzer() [3/3]

MassAnalyzer ( MassAnalyzer && )

default

Move constructor.

◆ ~MassAnalyzer()

~MassAnalyzer ( )

Destructor.

Member Function Documentation

◆ getAccuracy()

double getAccuracy ( ) const

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

◆ getFinalMSExponent()

Int getFinalMSExponent ( ) const

returns the final MS exponent

◆ getIsolationWidth()

double 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)

◆ getMagneticFieldStrength()

double getMagneticFieldStrength ( ) const

returns the strength of the magnetic field (in T)

◆ getOrder()

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 instruments, the order should be defined.

◆ getReflectronState()

ReflectronState getReflectronState ( ) const

returns the reflectron state (for TOF)

◆ getResolution()

double getResolution ( ) const

returns the resolution

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

◆ getResolutionMethod()

ResolutionMethod getResolutionMethod ( ) const

returns the method used for determination of the resolution

◆ getResolutionType()

ResolutionType getResolutionType ( ) const

returns the resolution type

◆ getScanDirection()

ScanDirection getScanDirection ( ) const

returns the direction of scanning

◆ getScanLaw()

ScanLaw getScanLaw ( ) const

returns the scan law

◆ getScanRate()

double getScanRate ( ) const

returns the scan rate (in s)

◆ getScanTime()

double getScanTime ( ) const

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

◆ getTOFTotalPathLength()

double getTOFTotalPathLength ( ) const

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

◆ getType()

AnalyzerType getType ( ) const

returns the analyzer type

◆ operator!=()

bool operator!= ( const MassAnalyzer & rhs ) const

Equality operator.

◆ operator=() [1/2]

MassAnalyzer& operator= ( const MassAnalyzer & )

default

Assignment operator.

◆ operator=() [2/2]

MassAnalyzer& operator= ( MassAnalyzer && ) &

default

Move assignment operator.

◆ operator==()

bool operator== ( const MassAnalyzer & rhs ) const

Equality operator.

◆ setAccuracy()

void setAccuracy ( double accuracy )

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

◆ setFinalMSExponent()

void setFinalMSExponent ( Int final_MS_exponent )

sets the final MS exponent

◆ setIsolationWidth()

void setIsolationWidth ( double 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)

◆ setMagneticFieldStrength()

void setMagneticFieldStrength ( double magnetic_field_strength )

sets the strength of the magnetic field (in T)

◆ setOrder()

void setOrder ( Int order )

sets the order

◆ setReflectronState()

void setReflectronState ( ReflectronState reflecton_state )

sets the reflectron state (for TOF)

◆ setResolution()

void setResolution ( double resolution )

sets the resolution

◆ setResolutionMethod()

void setResolutionMethod ( ResolutionMethod resolution_method )

sets the method used for determination of the resolution

◆ setResolutionType()

void setResolutionType ( ResolutionType resolution_type )

sets the resolution type

◆ setScanDirection()

void setScanDirection ( ScanDirection scan_direction )

sets the direction of scanning

◆ setScanLaw()

void setScanLaw ( ScanLaw scan_law )

sets the scan law

◆ setScanRate()

void setScanRate ( double scan_rate )

sets the scan rate (in s)

◆ setScanTime()

void setScanTime ( double scan_time )

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

◆ setTOFTotalPathLength()

void setTOFTotalPathLength ( double TOF_total_path_length )

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

◆ setType()

void setType ( AnalyzerType type )

sets the analyzer type

Member Data Documentation

◆ accuracy_

double accuracy_

protected

◆ final_MS_exponent_

Int final_MS_exponent_

protected

◆ isolation_width_

double isolation_width_

protected

◆ magnetic_field_strength_

double magnetic_field_strength_

protected

◆ NamesOfAnalyzerType

const std::string NamesOfAnalyzerType[SIZE_OF_ANALYZERTYPE]

static

Names of the analyzer types.

◆ NamesOfReflectronState

const std::string NamesOfReflectronState[SIZE_OF_REFLECTRONSTATE]

static

Names of reflectron states.

◆ NamesOfResolutionMethod

const std::string NamesOfResolutionMethod[SIZE_OF_RESOLUTIONMETHOD]

static

Names of resolution methods.

◆ NamesOfResolutionType

const std::string NamesOfResolutionType[SIZE_OF_RESOLUTIONTYPE]

static

Names of resolution type.

◆ NamesOfScanDirection

const std::string NamesOfScanDirection[SIZE_OF_SCANDIRECTION]

static

Names of direction of scanning.

◆ NamesOfScanLaw

const std::string NamesOfScanLaw[SIZE_OF_SCANLAW]

static

Names of scan laws.

◆ order_

Int order_

protected

◆ reflectron_state_

ReflectronState reflectron_state_

protected

◆ resolution_

double resolution_

protected

◆ resolution_method_

ResolutionMethod resolution_method_

protected

◆ resolution_type_

ResolutionType resolution_type_

protected

◆ scan_direction_

ScanDirection scan_direction_

protected

◆ scan_law_

ScanLaw scan_law_

protected

◆ scan_rate_

double scan_rate_

protected

◆ scan_time_

double scan_time_

protected

◆ TOF_total_path_length_

double TOF_total_path_length_

protected

◆ type_

AnalyzerType type_

protected

Public Types

Public Member Functions

Static Public Attributes

Protected Attributes

Additional Inherited Members

Detailed Description

Member Enumeration Documentation

◆ AnalyzerType

◆ ReflectronState

◆ ResolutionMethod

◆ ResolutionType

◆ ScanDirection

◆ ScanLaw

Constructor & Destructor Documentation

◆ MassAnalyzer() [1/3]

◆ MassAnalyzer() [2/3]

◆ MassAnalyzer() [3/3]

◆ ~MassAnalyzer()

Member Function Documentation

◆ getAccuracy()

◆ getFinalMSExponent()

◆ getIsolationWidth()

◆ getMagneticFieldStrength()

◆ getOrder()

◆ getReflectronState()

◆ getResolution()

◆ getResolutionMethod()

◆ getResolutionType()

◆ getScanDirection()

◆ getScanLaw()

◆ getScanRate()

◆ getScanTime()

◆ getTOFTotalPathLength()

◆ getType()

◆ operator!=()

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ operator==()

◆ setAccuracy()

◆ setFinalMSExponent()

◆ setIsolationWidth()

◆ setMagneticFieldStrength()

◆ setOrder()

◆ setReflectronState()

◆ setResolution()

◆ setResolutionMethod()

◆ setResolutionType()

◆ setScanDirection()

◆ setScanLaw()

◆ setScanRate()

◆ setScanTime()

◆ setTOFTotalPathLength()

◆ setType()

Member Data Documentation

◆ accuracy_

◆ final_MS_exponent_

◆ isolation_width_

◆ magnetic_field_strength_

◆ NamesOfAnalyzerType

◆ NamesOfReflectronState

◆ NamesOfResolutionMethod

◆ NamesOfResolutionType

◆ NamesOfScanDirection

◆ NamesOfScanLaw

◆ order_

◆ reflectron_state_

◆ resolution_

◆ resolution_method_

◆ resolution_type_

◆ scan_direction_

◆ scan_law_

◆ scan_rate_

◆ scan_time_

◆ TOF_total_path_length_

◆ type_