MRMFeatureQC Class Reference

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

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

Collaboration diagram for MRMFeatureQC:

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 ()=default
	Constructor. More...
	~MRMFeatureQC ()=default
	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

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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.

Collaboration diagram for MRMFeatureQC::ComponentGroupPairQCs:

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

Constructor & Destructor Documentation

MRMFeatureQC()

MRMFeatureQC ( )

default

Constructor.

~MRMFeatureQC()

~MRMFeatureQC ( )

default

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