Descripton of a mass analyzer (part of a MS Instrument) More...
#include <OpenMS/METADATA/MassAnalyzer.h>
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 &source) | |
Copy constructor. More... | |
~MassAnalyzer () | |
Destructor. More... | |
MassAnalyzer & | operator= (const MassAnalyzer &source) |
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... | |
DoubleReal | getResolution () const |
returns the resolution More... | |
void | setResolution (DoubleReal resolution) |
sets the resolution More... | |
DoubleReal | getAccuracy () const |
returns the mass accuracy i.e. how much the theoretical mass may differ from the measured mass (in ppm) More... | |
void | setAccuracy (DoubleReal accuracy) |
sets the accuracy i.e. how much the theoretical mass may differ from the measured mass (in ppm) More... | |
DoubleReal | getScanRate () const |
returns the scan rate (in s) More... | |
void | setScanRate (DoubleReal scan_rate) |
sets the scan rate (in s) More... | |
DoubleReal | getScanTime () const |
returns the scan time for a single scan (in s) More... | |
void | setScanTime (DoubleReal scan_time) |
sets the scan time for a single scan (in s) More... | |
DoubleReal | getTOFTotalPathLength () const |
returns the path length for a TOF mass analyzer (in meter) More... | |
void | setTOFTotalPathLength (DoubleReal TOF_total_path_length) |
sets the path length for a TOF mass analyzer (in meter) More... | |
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) More... | |
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) More... | |
Int | getFinalMSExponent () const |
returns the final MS exponent More... | |
void | setFinalMSExponent (Int final_MS_exponent) |
sets the final MS exponent More... | |
DoubleReal | getMagneticFieldStrength () const |
returns the strength of the magnetic field (in T) More... | |
void | setMagneticFieldStrength (DoubleReal 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... | |
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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... | |
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 resolustion methods. More... | |
static const std::string | NamesOfResolutionType [SIZE_OF_RESOLUTIONTYPE] |
Names of resulution 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 reclectron states. More... | |
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_ |
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MetaInfo * | meta_ |
pointer to the MetaInfo object. 0 by default More... | |
Additional Inherited Members | |
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static MetaInfoRegistry & | metaRegistry () |
retuns a reference to the MetaInfoRegistry More... | |
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void | createIfNotExists_ () |
creates the MetaInfo object if it does not exist More... | |
Descripton of a mass analyzer (part of a MS Instrument)
enum AnalyzerType |
analyzer type
enum ReflectronState |
enum ResolutionMethod |
enum ResolutionType |
enum ScanDirection |
enum ScanLaw |
MassAnalyzer | ( | ) |
Constructor.
MassAnalyzer | ( | const MassAnalyzer & | source | ) |
Copy constructor.
~MassAnalyzer | ( | ) |
Destructor.
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 >::writeHeader_(), and MzDataHandler< MapType >::writeTo().
Int getFinalMSExponent | ( | ) | const |
returns the final MS exponent
Referenced by MzMLHandler< MapType >::writeHeader_(), 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 >::writeHeader_(), 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:
For more complex instuments, the order should be defined.
Referenced by MzMLHandler< MapType >::writeHeader_().
ReflectronState getReflectronState | ( | ) | const |
returns the reflectron state (for TOF)
Referenced by MzMLHandler< MapType >::writeHeader_(), 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 >::writeHeader_(), and MzDataHandler< MapType >::writeTo().
AnalyzerType getType | ( | ) | const |
returns the analyzer type
Referenced by MzMLHandler< MapType >::writeHeader_(), 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().
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Names of the analyzer types.
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Names of reclectron states.
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Names of resolustion methods.
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Names of resulution type.
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Names of direction of scanning.
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Names of scan laws.
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OpenMS / TOPP release 1.11.1 | Documentation generated on Thu Nov 14 2013 11:19:33 using doxygen 1.8.5 |