SiriusMSConverter.h File Reference

#include <OpenMS/ANALYSIS/MAPMATCHING/FeatureMapping.h>
#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/METADATA/SpectrumLookup.h>
#include <fstream>

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Classes
class	SiriusMSFile
class	SiriusMSFile::AccessionInfo
	< class to store information about accessions More...
class	SiriusMSFile::CompoundInfo

Namespaces
	OpenMS
	Main OpenMS namespace.

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Class Documentation

OpenMS::SiriusMSFile::AccessionInfo

class OpenMS::SiriusMSFile::AccessionInfo

< class to store information about accessions

class to store the compound information needed for the mapping of compound and fragment annotated spectrum

Collaboration diagram for SiriusMSFile::AccessionInfo:

Class Members
String	native_id_accession	nativeID accession for mztab-m
String	native_id_type	nativeID type for mztab-m
String	sf_accession	sourcefile accessions for mztab-m
String	sf_filename	sourcefile name for mztab-m
String	sf_path	sourcefile path for mztab-m
String	sf_type	sourcefile type for mztab-m

OpenMS::SiriusMSFile::CompoundInfo

class OpenMS::SiriusMSFile::CompoundInfo

Collaboration diagram for SiriusMSFile::CompoundInfo:

Class Members
int	charge	precursor/feature charge
String	cmp	query_id used compound in .ms file
String	des	description/name of the compound
String	fid	annotated feature_id (if available)
int	file_index	source file index >
double	fmz	annotated mass of a feature (if available)
String	formula	sumformula of the compound
String	ionization	adduct information
vector< String >	m_ids	native ids and identifier for multiple possible identification via AMS ("|" separator)
String	m_ids_id	concatenated list of native ids and identifier for multiple possible identification via AMS ("|" separator) used for mapping of compounds and the annotated spectrum.
vector< String >	native_ids	native ids of the associated spectra
String	native_ids_id	concatenated list of the associated spectra
double	pint_mono	parent/precursor intensity of the compound
double	pmass	parent/precursor mass of the compound
double	rt	retention time of the compound
vector< String >	scan_indices	index of the associated spectra
String	source_file	sourcefile for mztab-m
String	source_format	format of the sourcefile for mztab-m
String	specref_format	spectra ref format for mztab-m
vector< String >	specrefs	spectra reference for mztab-m