IsobaricIsotopeCorrector Class Reference

Performs isotope impurity correction on the intensities extracted from an isobaric labeling experiment. More...

#include <OpenMS/ANALYSIS/QUANTITATION/IsobaricIsotopeCorrector.h>

Static Public Member Functions
static IsobaricQuantifierStatistics	correctIsotopicImpurities (const ConsensusMap &consensus_map_in, ConsensusMap &consensus_map_out, const IsobaricQuantitationMethod *quant_method)
	Apply isotope correction to the given input map and store the corrected values in the output map. More...

Static Private Member Functions
static void	fillInputVector_ (Eigen::VectorXd &b, Matrix< double > &m_b, const ConsensusFeature &cf, const ConsensusMap &cm)
	Fills the input vector for the Eigen/NNLS step given the ConsensusFeature. More...
static void	solveNNLS_ (const Matrix< double > &correction_matrix, const Matrix< double > &m_b, Matrix< double > &m_x)
static void	computeStats_ (const Matrix< double > &m_x, const Eigen::MatrixXd &x, const float cf_intensity, const IsobaricQuantitationMethod *quant_method, IsobaricQuantifierStatistics &stats)
static float	updateOutpuMap_ (const ConsensusMap &consensus_map_in, ConsensusMap &consensus_map_out, Size current_cf, const Matrix< double > &m_x)

Detailed Description

Performs isotope impurity correction on the intensities extracted from an isobaric labeling experiment.

Member Function Documentation

computeStats_()

static void computeStats_ ( const Matrix< double > &  m_x, const Eigen::MatrixXd &  x, const float  cf_intensity, const IsobaricQuantitationMethod *  quant_method, IsobaricQuantifierStatistics &  stats  )

staticprivate

correctIsotopicImpurities()

static IsobaricQuantifierStatistics correctIsotopicImpurities ( const ConsensusMap &  consensus_map_in, ConsensusMap &  consensus_map_out, const IsobaricQuantitationMethod *  quant_method  )

static

Apply isotope correction to the given input map and store the corrected values in the output map.

Parameters

consensus_map_in	The map containing the values that should be corrected.
consensus_map_out	The map where the corrected values should be stored.
quant_method	IsobaricQuantitationMethod (e.g., iTRAQ 4 plex)

Exceptions

Exception::FailedAPICall	If the least-squares fit fails.
Exception::InvalidParameter	If the given correction matrix is invalid.

fillInputVector_()

static void fillInputVector_ ( Eigen::VectorXd &  b, Matrix< double > &  m_b, const ConsensusFeature &  cf, const ConsensusMap &  cm  )

staticprivate

Fills the input vector for the Eigen/NNLS step given the ConsensusFeature.

solveNNLS_()

static void solveNNLS_ ( const Matrix< double > &  correction_matrix, const Matrix< double > &  m_b, Matrix< double > &  m_x  )

staticprivate

updateOutpuMap_()

static float updateOutpuMap_ ( const ConsensusMap &  consensus_map_in, ConsensusMap &  consensus_map_out, Size  current_cf, const Matrix< double > &  m_x  )

staticprivate