| OpenMS 2.5.0

Classes | Public Attributes | List of all members
MRMFeatureQC Class Reference

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