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

best_search_engine_score

std::map<Size, MzTabDouble> best_search_engine_score

calc_mass_to_charge

MzTabDouble calc_mass_to_charge

charge

MzTabDouble charge

chemical_formula

MzTabString chemical_formula

database

MzTabString database

database_version

MzTabString database_version

description

MzTabString description

exp_mass_to_charge

MzTabDouble exp_mass_to_charge

identifier

MzTabStringList identifier

inchi_key

MzTabString inchi_key

modifications

MzTabString modifications

opt_

std::vector<MzTabOptionalColumnEntry> opt_

reliability

MzTabInteger reliability

retention_time

MzTabDoubleList retention_time

search_engine

MzTabParameterList search_engine

search_engine_score_ms_run

std::map<Size, std::map<Size, MzTabDouble> > search_engine_score_ms_run

smallmolecule_abundance_assay

std::map<Size, MzTabDouble> smallmolecule_abundance_assay

smallmolecule_abundance_std_error_study_variable

std::map<Size, MzTabDouble> smallmolecule_abundance_std_error_study_variable

smallmolecule_abundance_stdev_study_variable

std::map<Size, MzTabDouble> smallmolecule_abundance_stdev_study_variable

smallmolecule_abundance_study_variable

std::map<Size, MzTabDouble> smallmolecule_abundance_study_variable

smiles

MzTabString smiles

species

MzTabString species

spectra_ref

MzTabSpectraRef spectra_ref

taxid

MzTabInteger taxid

uri

MzTabString uri