The MRMFeatureQC is a class to handle the parameters and options for MRMFeatureFilter. More...

#include <OpenMS/ANALYSIS/OPENSWATH/MRMFeatureQC.h>

Classes
struct	ComponentGroupPairQCs
	Quality Controls (QCs) for multiple components (between or within component_groups) More...

struct	ComponentGroupQCs
	Quality Controls (QCs) within a component group. More...

struct	ComponentQCs
	Quality Controls (QCs) for individual components. More...

Public Member Functions
	MRMFeatureQC ()
	Constructor. More...

	~MRMFeatureQC ()
	Destructor. More...

Public Attributes
std::vector< ComponentQCs >	component_qcs
	list of all component QCs More...

std::vector< ComponentGroupQCs >	component_group_qcs
	list of all component group QCs More...

std::vector< ComponentGroupPairQCs >	component_group_pair_qcs
	list of all component group pair QCs More...

Detailed Description

The MRMFeatureQC is a class to handle the parameters and options for MRMFeatureFilter.

The format is based loosely on the TraML format and can be stored and loaded to disk using MRMFeatureQCFile.

Quality control parameters are available on multiple levels:

the level of a single component (or transition) representing a single transition
the level of a component group (or transition group) representing a single chemical entity
the level of component group pairs (e.g. isotopic pairs) representing multiple chemical entities that may be related by isotopic pairing

Class Documentation

◆ OpenMS::MRMFeatureQC::ComponentGroupPairQCs

struct OpenMS::MRMFeatureQC::ComponentGroupPairQCs

Quality Controls (QCs) for multiple components (between or within component_groups)

This structure contains upper and lower bounds for parameters that involve two or more component groups. For example, a quality control that is based on a minimum retention time difference between two components would be suitable for this struct.

Class Members
String	component_group_name	name of the component
double	resolution_l	resolution lower bound
String	resolution_pair_name	name of the component to calculate the resolution or retention time
double	resolution_u	resolution upper bound
double	rt_diff_l	retention time lower bound
double	rt_diff_u	retention time upper bound

◆ OpenMS::MRMFeatureQC::ComponentGroupQCs

struct OpenMS::MRMFeatureQC::ComponentGroupQCs

Quality Controls (QCs) within a component group.

A component group is analogous to a transition group or feature. A component group includes all transitions that correspond to a given component (i.e., peptide or metabolite)

Class Members
String	component_group_name	name of the component group
double	intensity_l	intensity lower bound
double	intensity_u	intensity upper bound
String	ion_ratio_feature_name
double	ion_ratio_l
String	ion_ratio_pair_name_1
String	ion_ratio_pair_name_2
double	ion_ratio_u
map< String, pair< double, double > >	meta_value_qc
Int	n_detecting_l
Int	n_detecting_u
Int	n_heavy_l	number of heavy ion lower bound
Int	n_heavy_u	number of heavy ion upper bound
Int	n_identifying_l
Int	n_identifying_u
Int	n_light_l
Int	n_light_u
Int	n_quantifying_l
Int	n_quantifying_u
Int	n_transitions_l
Int	n_transitions_u
double	overall_quality_l	overall quality lower bound
double	overall_quality_u	overall quality upper bound
double	retention_time_l	retention time lower bound
double	retention_time_u	retention time upper bound

◆ OpenMS::MRMFeatureQC::ComponentQCs

struct OpenMS::MRMFeatureQC::ComponentQCs

Quality Controls (QCs) for individual components.

A component is analogous to a transition or subfeature. A component is a transition that corresponds to a single peptide or metabolite

Class Members
String	component_name	name of the component
double	intensity_l	intensity lower bound
double	intensity_u	intensity upper bound
map< String, pair< double, double > >	meta_value_qc	Feature MetaValues.
double	overall_quality_l	overall quality lower bound
double	overall_quality_u	overall quality upper bound
double	retention_time_l	retention time lower bound
double	retention_time_u	retention time upper bound

Constructor & Destructor Documentation

◆ MRMFeatureQC()

MRMFeatureQC ( )

Constructor.

◆ ~MRMFeatureQC()

~MRMFeatureQC ( )

Destructor.

Member Data Documentation

◆ component_group_pair_qcs

std::vector<ComponentGroupPairQCs> component_group_pair_qcs

list of all component group pair QCs

◆ component_group_qcs

std::vector<ComponentGroupQCs> component_group_qcs

list of all component group QCs

◆ component_qcs

std::vector<ComponentQCs> component_qcs

list of all component QCs

Classes

Public Member Functions

Public Attributes