OpenMS  2.5.0
Classes | Namespaces
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.
 

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