MRMFeatureQC.h File Reference

#include <OpenMS/KERNEL/MRMFeature.h>
#include <OpenMS/KERNEL/Feature.h>
#include <OpenMS/KERNEL/FeatureMap.h>
#include <OpenMS/FORMAT/QcMLFile.h>
#include <OpenMS/DATASTRUCTURES/String.h>
#include <OpenMS/CONCEPT/LogStream.h>

Go to the source code of this file.

Classes
class	MRMFeatureQC
	The MRMFeatureQC is a class to handle the parameters and options for MRMFeatureFilter. More...
struct	MRMFeatureQC::ComponentQCs
	Quality Controls (QCs) for individual components. More...
struct	MRMFeatureQC::ComponentGroupQCs
	Quality Controls (QCs) within a component group. More...
struct	MRMFeatureQC::ComponentGroupPairQCs
	Quality Controls (QCs) for multiple components (between or within component_groups) More...

Namespaces
	OpenMS
	Main OpenMS namespace.

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Class Documentation

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

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::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