TIC Class Reference

#include <OpenMS/QC/TIC.h>

Inheritance diagram for TIC:

Collaboration diagram for TIC:

Classes
struct	Result

Public Member Functions
	TIC ()=default
	Constructor. More...
virtual	~TIC ()=default
	Destructor. More...
Result	compute (const MSExperiment &exp, float bin_size=0, UInt ms_level=1)
	Compute Total Ion Count and applies the resampling algorithm, if a bin size in RT seconds greater than 0 is given. More...
const String &	getName () const override
	Returns the name of the metric. More...
const std::vector< MSChromatogram > &	getResults () const
QCBase::Status	requires () const override
	Returns the input data requirements of the compute(...) function. More...
void	addMetaDataMetricsToMzTab (MzTabMetaData &meta, std::vector< Result > &tics)
	append QC data for given metrics to mzTab's MTD section More...
Public Member Functions inherited from QCBase
bool	isRunnable (const Status &s) const

Private Attributes
const String	name_ = "TIC"

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...

Constructor & Destructor Documentation

TIC()

TIC ( )

default

Constructor.

~TIC()

virtual ~TIC ( )

virtualdefault

Destructor.

Member Function Documentation

addMetaDataMetricsToMzTab()

void addMetaDataMetricsToMzTab	(	MzTabMetaData &	meta,
		std::vector< Result > &	tics
	)

append QC data for given metrics to mzTab's MTD section

compute()

Result compute	(	const MSExperiment &	exp,
		float	bin_size = 0,
		UInt	ms_level = 1
	)

Compute Total Ion Count and applies the resampling algorithm, if a bin size in RT seconds greater than 0 is given.

All MS1 TICs within a bin are summed up.

Parameters

exp	Peak map to compute the MS1 tick from
bin_size	RT bin size in seconds
ms_level	MS level of spectra for calculation

Returns

result struct with with computed QC metrics: intensities, RTs (in seconds), area under TIC, 10x MS1 signal fall, 10x MS1 signal jump

getName()

const String& getName ( ) const

overridevirtual

Returns the name of the metric.

Implements QCBase.

getResults()

const std::vector<MSChromatogram>& getResults

(

)

const

requires()

QCBase::Status requires ( ) const

overridevirtual

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

Implements QCBase.

Member Data Documentation

name_

const String name_ = "TIC"

private