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

#include <OpenMS/QC/FWHM.h>

Inheritance diagram for FWHM:

Collaboration diagram for FWHM:

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 String &	getName () const override
	Returns the name of the metric. More...

Status	requirements () 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

features FeatureMap with features which have metavalue 'FWHM' or 'model_FWHM'

◆ getName()

const String& getName ( ) const

overridevirtual

Returns the name of the metric.

Implements QCBase.

◆ requirements()

Status requirements ( ) const