49 class AbsoluteQuantitationMethod;
216 const String& meta_value_key,
217 const double& meta_value_l,
218 const double& meta_value_u,
233 const String& meta_value_key,
234 double& meta_value_l,
235 double& meta_value_u,
250 const String& meta_value_key,
251 double& meta_value_l,
252 double& meta_value_u,
267 const String& meta_value_key,
268 double& meta_value_l,
269 double& meta_value_u,
340 template <
typename T>
341 bool checkRange(
const T& value,
const T& value_l,
const T& value_u)
const;
344 template <
typename T>
348 template <
typename T>
349 void setRange(
const T& value, T& value_l, T& value_u)
const;
352 template <
typename T>
353 void initRange(
const T& value, T& value_l, T& value_u)
const;
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
A container for features.
Definition: FeatureMap.h:106
An LC-MS feature.
Definition: Feature.h:72
The MRMFeatureFilter either flags components and/or transitions that do not pass the QC criteria or f...
Definition: MRMFeatureFilter.h:61
void updateRange(const T &value, T &value_l, T &value_u) const
Updates value_l and value_u according to whether value is greater than value_u or less than value_l.
void setMetaValue(const Feature &component, const String &meta_value_key, double &meta_value_l, double &meta_value_u, bool &key_exists) const
Uses the supplied value to set the metaValue ranges.
void calculateFilterValuesMean(MRMFeatureQC &filter_mean, const std::vector< MRMFeatureQC > &filter_values, const MRMFeatureQC &filter_template) const
Calculate the mean of each MRMFeatureQC parameter from a list of MRMFeatureQC classes.
void FilterFeatureMapPercRSD(FeatureMap &features, const MRMFeatureQC &filter_criteria, const MRMFeatureQC &filter_values)
Flags or filters features and subordinates in a FeatureMap based on a user defined set of filter valu...
std::map< String, int > countLabelsAndTransitionTypes(const Feature &component_group, const TargetedExperiment &transitions) const
Count the number of heavy/light labels and quantifying/detecting/identifying transitions.
void TransferLLOQAndULOQToCalculatedConcentrationBounds(const std::vector< AbsoluteQuantitationMethod > &quantitation_method, MRMFeatureQC &filter_template)
Transfer the lower and upper bound values for the calculated concentrations based off of the Absolute...
String flag_or_filter_
flag or filter (i.e., remove) features that do not pass the QC
Definition: MRMFeatureFilter.h:358
StringList getUniqueSorted(const StringList &messages) const
Sorts the messages and returns a copy without duplicates.
void FilterFeatureMapBackgroundInterference(FeatureMap &features, const MRMFeatureQC &filter_criteria, const MRMFeatureQC &filter_values)
Flags or filters features and subordinates in a FeatureMap based on a user defined set of filter valu...
double calculateRTDifference(Feature &component_1, Feature &component_2) const
Calculates the retention time difference between two features.
void zeroFilterValues(MRMFeatureQC &filter_zeros, const MRMFeatureQC &filter_template) const
Set all members in MRMFeatureQC to zero.
void initRange(const T &value, T &value_l, T &value_u) const
Sets value_l and value_u to value.
void EstimateDefaultMRMFeatureQCValues(const std::vector< FeatureMap > &samples, MRMFeatureQC &filter_template, const TargetedExperiment &transitions, const bool &init_template_values) const
Estimate the lower and upper bound values for the MRMFeatureQC class based on a user supplied templat...
bool checkMetaValue(const Feature &component, const String &meta_value_key, const double &meta_value_l, const double &meta_value_u, bool &key_exists) const
Checks if the metaValue is within the user specified range.
double calculateResolution(Feature &component_1, Feature &component_2) const
Calculates the resolution between two features.
void EstimateBackgroundInterferences(const std::vector< FeatureMap > &samples, MRMFeatureQC &filter_template, const TargetedExperiment &transitions) const
Estimate the background interference level based on the average values from Blank samples....
void FilterFeatureMap(FeatureMap &features, const MRMFeatureQC &filter_criteria, const TargetedExperiment &transitions)
Flags or filters features and subordinates in a FeatureMap.
void updateMembers_() override
Synchronize members with param class.
double calculateIonRatio(const Feature &component_1, const Feature &component_2, const String &feature_name) const
Calculates the ion ratio between two transitions.
void initMetaValue(const Feature &component, const String &meta_value_key, double &meta_value_l, double &meta_value_u, bool &key_exists) const
Uses the supplied value to initialize the metaValue ranges to the same value.
void accumulateFilterValues(std::vector< MRMFeatureQC > &filter_values, const std::vector< FeatureMap > &samples, const MRMFeatureQC &filter_template, const TargetedExperiment &transitions) const
Accumulate feature values from a list of FeatureMaps.
bool checkRange(const T &value, const T &value_l, const T &value_u) const
Checks that the range of value is bracketed by value_l and value_u.
void EstimatePercRSD(const std::vector< FeatureMap > &samples, MRMFeatureQC &filter_template, const TargetedExperiment &transitions) const
Estimate the feature variability as measured by PercentRSD from multiple pooled QC samples or replica...
void setRange(const T &value, T &value_l, T &value_u) const
Sets value_l and value_u to bracket the range 0 to value or value to 0 depending on if value is >0.
~MRMFeatureFilter() override
Destructor.
void getDefaultParameters(Param ¶ms) const
Get the class' default parameters.
void updateMetaValue(const Feature &component, const String &meta_value_key, double &meta_value_l, double &meta_value_u, bool &key_exists) const
Updates the metaValue ranges based on the value given.
void calculateFilterValuesPercRSD(MRMFeatureQC &filter_rsd, const MRMFeatureQC &filter_mean, const MRMFeatureQC &filter_var) const
Calculate the relative standard deviation (PercentRSD) of each MRMFeatureQC parameter from pre-comput...
void calculateFilterValuesVar(MRMFeatureQC &filter_var, const std::vector< MRMFeatureQC > &filter_values, const MRMFeatureQC &filter_mean, const MRMFeatureQC &filter_template) const
Calculate the var of each MRMFeatureQC parameter from a list of MRMFeatureQC classes.
The MRMFeatureQC is a class to handle the parameters and options for MRMFeatureFilter.
Definition: MRMFeatureQC.h:59
Management and storage of parameters / INI files.
Definition: Param.h:70
A more convenient string class.
Definition: String.h:60
A description of a targeted experiment containing precursor and production ions.
Definition: TargetedExperiment.h:65
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:70
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48