| OpenMS 2.5.0

Public Types | Public Member Functions | Static Public Attributes | Protected Attributes | List of all members
MassAnalyzer Class Reference
Metadata

Description 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. 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 | 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