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, MzTabDouble >	best_search_engine_score
std::map< Size, std::map< Size, MzTabDouble > >	search_engine_score_ms_run
MzTabString	modifications
std::map< Size, MzTabDouble >	smallmolecule_abundance_assay
std::map< Size, MzTabDouble >	smallmolecule_abundance_study_variable
std::map< Size, MzTabDouble >	smallmolecule_abundance_stdev_study_variable
std::map< Size, MzTabDouble >	smallmolecule_abundance_std_error_study_variable
std::vector< MzTabOptionalColumnEntry >	opt_

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

MzTabString uri