File adapter for MsInspect files. More...

#include <OpenMS/FORMAT/MsInspectFile.h>

Public Member Functions
	MsInspectFile ()
	Default constructor. More...

virtual	~MsInspectFile ()
	Destructor. More...

template<typename FeatureMapType >
void	load (const String &filename, FeatureMapType &feature_map)
	Loads a MsInspect file into a featureXML. More...

template<typename SpectrumType >
void	store (const String &filename, const SpectrumType &spectrum) const
	Stores a featureXML as a MsInspect file. More...

Detailed Description

File adapter for MsInspect files.

Lines with "#" are comments and are ignored.

The first non-comment line is the header and contains the column names:
scan time mz accurateMZ mass intensity charge chargeStates kl background median peaks scanFirst scanLast scanCount totalIntensity sumSquaresDist description

Every subsequent line is a feature.

Constructor & Destructor Documentation

◆ MsInspectFile()

MsInspectFile ( )

Default constructor.

◆ ~MsInspectFile()

virtual ~MsInspectFile ( )

virtual

Destructor.

Member Function Documentation

◆ load()

void load	(	const String &	filename,
		FeatureMapType &	feature_map
	)

inline

Loads a MsInspect file into a featureXML.

The content of the file is stored in features.

Exceptions

Exception::FileNotFound	is thrown if the file could not be opened
Exception::ParseError	is thrown if an error occurs during parsing

References TextFile::begin(), TextFile::end(), BaseFeature::setCharge(), Peak2D::setIntensity(), MetaInfoInterface::setMetaValue(), Peak2D::setMZ(), Feature::setOverallQuality(), Peak2D::setRT(), String::split(), OpenMS::StringUtils::toDouble(), and OpenMS::StringUtils::toInt().

◆ store()

void store	(	const String &	filename,
		const SpectrumType &	spectrum
	)		const

inline

Stores a featureXML as a MsInspect file.

NOT IMPLEMENTED