File adapter for DTA files. More...

#include <OpenMS/FORMAT/DTAFile.h>

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

virtual	~DTAFile ()
	Destructor. More...

template<typename SpectrumType >
void	load (const String &filename, SpectrumType &spectrum)
	Loads a DTA file to a spectrum. More...

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

Protected Attributes
UInt	default_ms_level_
	Default MS level used when reading the file. More...

Detailed Description

File adapter for DTA files.

The first line contains the singly protonated peptide mass (MH+) and the peptide charge state separated by a space. Subsequent lines contain space separated pairs of fragment ion m/z and intensity values.

From precursor mass and charge state the mass-charge-ratio is calculated and stored in the spectrum as precursor mass.

Constructor & Destructor Documentation

◆ DTAFile()

DTAFile ( )

Default constructor.

◆ ~DTAFile()

virtual ~DTAFile ( )

virtual

Destructor.

Member Function Documentation

◆ load()

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

inline

Loads a DTA file to a spectrum.

The content of the file is stored in spectrum. spectrum has to be a MSSpectrum or have the same interface.

Exceptions

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

References File::basename(), MSSpectrum::clear(), SpectrumSettings::getPrecursors(), String::has(), OpenMS::Constants::PROTON_MASS_U, Precursor::setCharge(), Peak1D::setIntensity(), MSSpectrum::setMSLevel(), Peak1D::setMZ(), MSSpectrum::setName(), Peak1D::setPosition(), String::split(), and String::trim().

◆ store()

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

inline

Stores a spectrum in a DTA file.

The content of spectrum is stored in a file. spectrum has to be a MSSpectrum or have the same interface.

Exceptions

Exception::UnableToCreateFile is thrown if the file could not be created

References Precursor::getCharge(), Peak1D::getMZ(), SpectrumSettings::getPrecursors(), and OpenMS::writtenDigits< double >().

Member Data Documentation

◆ default_ms_level_

UInt default_ms_level_

protected

Default MS level used when reading the file.

Public Member Functions

Protected Attributes