OpenMS  3.0.0
SiriusMSConverter.h File Reference
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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.
 

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:
[legend]
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:
[legend]
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)
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