#include <OpenMS/FORMAT/DTAFile.h>
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 precusor mass and charge state the mass-charge-ratio is calculated and stored in the spectrum as precursor mass.
Public Member Functions | |
DTAFile () | |
Default constructor. | |
~DTAFile () | |
Destructor. | |
template<typename SpectrumType> | |
void | load (const String &filename, SpectrumType &spectrum) throw (Exception::FileNotFound,Exception::ParseError) |
Loads a DTA file to a spectrum. | |
template<typename SpectrumType> | |
void | store (const String &filename, const SpectrumType &spectrum) const throw (Exception::UnableToCreateFile) |
Stores a spectrum in a DTA file. |
DTAFile | ( | ) |
Default constructor.
~DTAFile | ( | ) |
Destructor.
void load | ( | const String & | filename, | |
SpectrumType & | spectrum | |||
) | throw (Exception::FileNotFound,Exception::ParseError) [inline] |
Loads a DTA file to a spectrum.
The content of the file is stored in spectrum
. spectrum
has to be a DSpectrum<1>/MSSpectrum<> or have the same interface.
void store | ( | const String & | filename, | |
const SpectrumType & | spectrum | |||
) | const throw (Exception::UnableToCreateFile) [inline] |
Stores a spectrum in a DTA file.
The content of spectrum
is stored in a file. spectrum
has to be a DSpectrum<1>/MSSpectrum<> or have the same interface.
Generated Tue Apr 1 15:36:44 2008 -- using doxygen 1.5.4 | OpenMS / TOPP 1.1 |