AbsoluteQuantitationStandards.h File Reference

#include <OpenMS/config.h>
#include <OpenMS/KERNEL/FeatureMap.h>

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Classes
class	AbsoluteQuantitationStandards
	Bridges sample-level concentration tables with the FeatureMap output of a feature finder, for building calibration curves used in absolute quantitation. More...
struct	AbsoluteQuantitationStandards::runConcentration
	One (sample, target, internal-standard, concentration) entry as provided by the user. More...
struct	AbsoluteQuantitationStandards::featureConcentration
	One target component matched to a feature in the corresponding FeatureMap, paired with its known concentration. More...

Namespaces
namespace	OpenMS
	Main OpenMS namespace.

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Class Documentation

OpenMS::AbsoluteQuantitationStandards::runConcentration

struct OpenMS::AbsoluteQuantitationStandards::runConcentration

One (sample, target, internal-standard, concentration) entry as provided by the user.

Typically populated from a calibration-table file before the standards are mapped to feature data.

Collaboration diagram for AbsoluteQuantitationStandards::runConcentration:

Class Members
double	actual_concentration	Known concentration of the target component in this sample.
string	component_name	Identifier of the target component (matched against subordinate-feature meta value "native_id").
string	concentration_units	Units the concentration values are expressed in.
double	dilution_factor	Sample dilution factor.
double	IS_actual_concentration	Known concentration of the internal standard in this sample.
string	IS_component_name	Identifier of the paired internal standard, or empty if there is none.
string	sample_name	Sample identifier; matched against FeatureMap::getPrimaryMSRunPath after stripping a .mzML or .txt suffix.

OpenMS::AbsoluteQuantitationStandards::featureConcentration

struct OpenMS::AbsoluteQuantitationStandards::featureConcentration

One target component matched to a feature in the corresponding FeatureMap, paired with its known concentration.

Produced by mapComponentsToConcentrations and getComponentFeatureConcentrations.

Collaboration diagram for AbsoluteQuantitationStandards::featureConcentration:

Class Members
double	actual_concentration	Copied from runConcentration::actual_concentration.
string	concentration_units	Copied from runConcentration::concentration_units.
double	dilution_factor	Copied from runConcentration::dilution_factor.
Feature	feature	Subordinate feature found in the matching FeatureMap (see mapComponentsToConcentrations for the match rule).
double	IS_actual_concentration	Copied from runConcentration::IS_actual_concentration.
Feature	IS_feature	Subordinate feature for the internal standard. Default-constructed when runConcentration::IS_component_name was empty or no IS subordinate was found.