OpenMS
MassAnalyzer Class Reference

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

#include <OpenMS/METADATA/MassAnalyzer.h>

Inheritance diagram for MassAnalyzer:
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Collaboration diagram for MassAnalyzer:
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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...
 
MassAnalyzeroperator= (const MassAnalyzer &)=default
 Assignment operator. More...
 
MassAnalyzeroperator= (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...
 
MetaInfoInterfaceoperator= (const MetaInfoInterface &rhs)
 Assignment operator. More...
 
MetaInfoInterfaceoperator= (MetaInfoInterface &&) noexcept
 Move assignment operator. More...
 
void swap (MetaInfoInterface &rhs)
 Swap contents. More...
 
bool operator== (const MetaInfoInterface &rhs) const
 Equality operator. More...
 
bool operator!= (const MetaInfoInterface &rhs) const
 Equality operator. More...
 
const DataValuegetMetaValue (const String &name) const
 Returns the value corresponding to a string, or DataValue::EMPTY if not found. More...
 
DataValue getMetaValue (const String &name, const DataValue &default_value) const
 Returns the value corresponding to a string, or a default value (e.g.: DataValue::EMPTY) if not found. More...
 
const DataValuegetMetaValue (UInt index) const
 Returns the value corresponding to the index, or DataValue::EMPTY if not found. More...
 
DataValue getMetaValue (UInt index, const DataValue &default_value) const
 Returns the value corresponding to the index, or a default value (e.g.: 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
MetaInfometa_
 Pointer to the MetaInfo object (0 by default) More...
 

Additional Inherited Members

- Static Public Member Functions inherited from MetaInfoInterface
static MetaInfoRegistrymetaRegistry ()
 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

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

Reflectron state.

Enumerator
REFLSTATENULL 

Unknown.

ON 

On.

OFF 

Off.

NONE 

None.

SIZE_OF_REFLECTRONSTATE 

◆ 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

Resolution type.

Enumerator
RESTYPENULL 

Unknown.

CONSTANT 

Constant.

PROPORTIONAL 

Proportional.

SIZE_OF_RESOLUTIONTYPE 

◆ 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]

Constructor.

◆ MassAnalyzer() [2/3]

MassAnalyzer ( const MassAnalyzer )
default

Copy constructor.

◆ MassAnalyzer() [3/3]

MassAnalyzer ( MassAnalyzer &&  )
default

Move constructor.

◆ ~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