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MzTabSmallMoleculeSectionRow Struct Reference

#include <OpenMS/FORMAT/MzTab.h>

Public Attributes

MzTabStringList identifier
 
MzTabString chemical_formula
 
MzTabString smiles
 
MzTabString inchi_key
 
MzTabString description
 
MzTabDouble exp_mass_to_charge
 
MzTabDouble calc_mass_to_charge
 
MzTabDouble charge
 
MzTabDoubleList retention_time
 
MzTabInteger taxid
 
MzTabString species
 
MzTabString database
 
MzTabString database_version
 
MzTabInteger reliability
 
MzTabString uri
 
MzTabSpectraRef spectra_ref
 
MzTabParameterList search_engine
 
std::map< Size, MzTabDoublebest_search_engine_score
 
std::map< Size, std::map< Size, MzTabDouble > > search_engine_score_ms_run
 
MzTabString modifications
 
std::map< Size, MzTabDoublesmallmolecule_abundance_assay
 
std::map< Size, MzTabDoublesmallmolecule_abundance_study_variable
 
std::map< Size, MzTabDoublesmallmolecule_abundance_stdev_study_variable
 
std::map< Size, MzTabDoublesmallmolecule_abundance_std_error_study_variable
 
std::vector< MzTabOptionalColumnEntryopt_
 

Member Data Documentation

std::map<Size, MzTabDouble> best_search_engine_score
MzTabDouble calc_mass_to_charge
MzTabDouble charge
MzTabString chemical_formula
MzTabString database
MzTabString database_version
MzTabString description
MzTabDouble exp_mass_to_charge
MzTabStringList identifier
MzTabString inchi_key
MzTabString modifications
std::vector<MzTabOptionalColumnEntry> opt_
MzTabInteger reliability
MzTabDoubleList retention_time
MzTabParameterList search_engine
std::map<Size, std::map<Size, MzTabDouble> > search_engine_score_ms_run
std::map<Size, MzTabDouble> smallmolecule_abundance_assay
std::map<Size, MzTabDouble> smallmolecule_abundance_std_error_study_variable
std::map<Size, MzTabDouble> smallmolecule_abundance_stdev_study_variable
std::map<Size, MzTabDouble> smallmolecule_abundance_study_variable
MzTabString smiles
MzTabString species
MzTabSpectraRef spectra_ref
MzTabInteger taxid

OpenMS / TOPP release 2.0.0 Documentation generated on Wed Mar 30 2016 12:49:29 using doxygen 1.8.11