SiriusMzTabWriter.h File Reference

#include <OpenMS/FORMAT/MzTabFile.h>

Go to the source code of this file.

Classes
class	SiriusMzTabWriter
struct	SiriusMzTabWriter::SiriusAdapterHit
	Internal structure used in SiriusAdapter that is used for the conversion of the sirius output to an mzTab. More...
struct	SiriusMzTabWriter::SiriusAdapterIdentification
struct	SiriusMzTabWriter::SiriusAdapterRun

Namespaces
	OpenMS
	Main OpenMS namespace.

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Class Documentation

OpenMS::SiriusMzTabWriter::SiriusAdapterHit

struct OpenMS::SiriusMzTabWriter::SiriusAdapterHit

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

SiriusAdapterHit: formula (String) - Sumformula adduct (String) - Assigned adduct rank (int) - Rank of the possible sumformula for a compound (spectrum) calculated by Sirius score (double) - Overall score of the possible sumformula for a compound (spectrum) calculated by Sirius treescore (double) - Fragmentation pattern score isoscore (double) - Isotope pattern score explainedpeaks (int) - Number of explained peaks explainedintensity (double) - Relative amount of explained intensity

SiriusAdapterIdentification: scan_index (int) - Index of the spectrum used scan_number (int) - NativeId of the spectrum used feature_id (String) - FeatureId (if spectrum was assigned to a feature) hits (vector<SiriusAdapterHit>)

SiriusAdapterRun: identifications (vector<SiriusAdapterIdentification>)

Store a specific

Parameters

number

of lines from sirius output

Returns

mzTab

Class Members
String	adduct
double	explainedintensity
int	explainedpeaks
String	formula
double	isoscore
int	rank
double	score
double	treescore

OpenMS::SiriusMzTabWriter::SiriusAdapterIdentification

struct OpenMS::SiriusMzTabWriter::SiriusAdapterIdentification

Class Members
String	feature_id
vector< SiriusAdapterHit >	hits
double	mz
String	native_id
double	rt
int	scan_index
int	scan_number

OpenMS::SiriusMzTabWriter::SiriusAdapterRun

struct OpenMS::SiriusMzTabWriter::SiriusAdapterRun

Class Members
vector< SiriusAdapterIdentification >	identifications