MetaboTargetedAssay.h File Reference

#include <OpenMS/KERNEL/StandardTypes.h>
#include <map>
#include <OpenMS/ANALYSIS/MRM/ReactionMonitoringTransition.h>
#include <OpenMS/ANALYSIS/TARGETED/TargetedExperiment.h>
#include <OpenMS/ANALYSIS/ID/SiriusMSConverter.h>
#include <OpenMS/FORMAT/DATAACCESS/SiriusFragmentAnnotation.h>
#include <OpenMS/CONCEPT/Exception.h>

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Classes
class	MetaboTargetedAssay
	This class provides methods for the extraction of targeted assays for metabolomics. More...
class	MetaboTargetedAssay::CompoundTargetDecoyPair
	CompoundTargetDecoyPair stores a pair of CompoundInfo and MSSpectrum (target, decoy) More...
class	MetaboTargetedAssay::CompoundSpectrumPair
	CompoundTargetDecoyPair stores a pair of CompoundInfo and MSSpectrum. More...
struct	MetaboTargetedAssay::TargetDecoyGroup
	TargetDecoyGroup stores the mz, rt and file number in correspondence to the index of a MetaboTargetedAssay vector. More...

Namespaces
namespace	OpenMS
	Main OpenMS namespace.

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Class Documentation

OpenMS::MetaboTargetedAssay::TargetDecoyGroup

struct OpenMS::MetaboTargetedAssay::TargetDecoyGroup

TargetDecoyGroup stores the mz, rt and file number in correspondence to the index of a MetaboTargetedAssay vector.

Collaboration diagram for MetaboTargetedAssay::TargetDecoyGroup:

Class Members
int	decoy_file_number = 0
int	decoy_index = -1
double	decoy_mz = 0.0
double	decoy_rt = 0.0
int	target_file_number = 0
int	target_index = -1
double	target_mz = 0.0
double	target_rt = 0.0