MzTabSmallMoleculeSectionRow Struct Reference

#include <OpenMS/FORMAT/MzTab.h>

List of all members.

Public Attributes
MzTabStringList	identifier
MzTabString	chemical_formula
MzTabString	smiles
MzTabString	inchi_key
MzTabString	description
MzTabDouble	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
MzTabParameterList	search_engine_score
MzTabModificationList	modifications
std::vector< MzTabDouble >	smallmolecule_abundance_sub
std::vector< MzTabDouble >	smallmolecule_abundance_stdev_sub
std::vector< MzTabDouble >	smallmolecule_abundance_std_error_sub
std::vector < MzTabOptionalColumnEntry >	opt_

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Member Data Documentation

MzTabDouble charge

MzTabString chemical_formula

MzTabString database

MzTabString database_version

MzTabString description

MzTabStringList identifier

MzTabString inchi_key

MzTabDouble mass_to_charge

MzTabModificationList modifications

std::vector<MzTabOptionalColumnEntry> opt_

MzTabInteger reliability

MzTabDoubleList retention_time

MzTabParameterList search_engine

MzTabParameterList search_engine_score

std::vector<MzTabDouble> smallmolecule_abundance_std_error_sub

std::vector<MzTabDouble> smallmolecule_abundance_stdev_sub

std::vector<MzTabDouble> smallmolecule_abundance_sub

MzTabString smiles

MzTabString species

MzTabSpectraRef spectra_ref

MzTabInteger taxid

MzTabString uri