CsiFingerIdMzTabWriter::CsiAdapterHit Struct Reference

Internal structure used in SiriusAdapter that is used for the conversion of the Csi:FingerID output to an mzTab. More...

#include <OpenMS/FORMAT/DATAACCESS/CsiFingerIdMzTabWriter.h>

Public Attributes
OpenMS::String	inchikey2D
OpenMS::String	inchi
unsigned int	rank
OpenMS::String	molecular_formula
double	score
OpenMS::String	name
OpenMS::String	smiles
std::vector< String >	pubchemids
std::vector< String >	links

Detailed Description

Internal structure used in SiriusAdapter that is used for the conversion of the Csi:FingerID output to an mzTab.

Member Data Documentation

inchi

OpenMS::String inchi

inchikey2D

OpenMS::String inchikey2D

links

std::vector<String> links

molecular_formula

OpenMS::String molecular_formula

name

OpenMS::String name

pubchemids

std::vector<String> pubchemids

rank

unsigned int rank

score

double score

smiles

OpenMS::String smiles