OpenMS  2.8.0
Public Member Functions | List of all members
FWHM Class Reference

QC metric calculating (un)calibrated m/z error. More...

#include <OpenMS/QC/FWHM.h>

Inheritance diagram for FWHM:
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Collaboration diagram for FWHM:
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Public Member Functions

 FWHM ()=default
 Constructor. More...
 
virtual ~FWHM ()=default
 Destructor. More...
 
void compute (FeatureMap &features)
 Moves FWHM metavalues from the feature to all its PeptideIdentifications (since that's were mzTab takes it from if we want to preserve Raw file origin) More...
 
const StringgetName () const override
 Returns the name of the metric. More...
 
Status requires () const override
 Returns the input data requirements of the compute(...) function. More...
 
- Public Member Functions inherited from QCBase
bool isRunnable (const Status &s) const
 

Additional Inherited Members

- Public Types inherited from QCBase
enum class  Requires : UInt64 {
  NOTHING , RAWMZML , POSTFDRFEAT , PREFDRFEAT ,
  CONTAMINANTS , TRAFOALIGN , ID , SIZE_OF_REQUIRES
}
 Enum to encode a file type as a bit. More...
 
enum class  ToleranceUnit { AUTO , PPM , DA , SIZE_OF_TOLERANCEUNIT }
 
using Status = FlagSet< Requires >
 
- Static Public Member Functions inherited from QCBase
static bool isLabeledExperiment (const ConsensusMap &cm)
 check if the IsobaricAnalyzer TOPP tool was used to create this ConsensusMap More...
 
template<typename MAP >
static bool hasPepID (const MAP &fmap)
 does the container have a PeptideIdentification in its members or as unassignedPepID ? More...
 
- Static Public Attributes inherited from QCBase
static const std::string names_of_requires []
 strings corresponding to enum Requires More...
 
static const std::string names_of_toleranceUnit []
 strings corresponding to enum ToleranceUnit More...
 

Detailed Description

QC metric calculating (un)calibrated m/z error.

The metric sets m/z-values of the original experiment and the calculated reference m/z-values, uncalibrated m/z error (ppm) and calibrated m/z error (ppm) as metavalues of all PeptideIdentifications in a FeatureMap.

For full functionality a PeakMap/MSExperiment with original m/z-values before m/z calibration generated by InternalCalibration has to be given. It's also possible to use this without an MzML File, but then only uncalibrated m/z error (ppm) will be reported. A FeatureMap after FDR is always required.

Constructor & Destructor Documentation

◆ FWHM()

FWHM ( )
default

Constructor.

◆ ~FWHM()

virtual ~FWHM ( )
virtualdefault

Destructor.

Member Function Documentation

◆ compute()

void compute ( FeatureMap features)

Moves FWHM metavalues from the feature to all its PeptideIdentifications (since that's were mzTab takes it from if we want to preserve Raw file origin)

A warning is issued on the commandline if a feature does not have either 'FWHM' or 'model_FWHM' as metavalue.

Parameters
featuresFeatureMap with features which have metavalue 'FWHM' or 'model_FWHM'

◆ getName()

const String& getName ( ) const
overridevirtual

Returns the name of the metric.

Implements QCBase.

◆ requires()

Status requires ( ) const
overridevirtual

Returns the input data requirements of the compute(...) function.

Implements QCBase.