| OpenMS 2.5.0

Static Public Member Functions | Static Private Member Functions | List of all members
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
| ) |  |

static private

## ◆ 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.
  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
| ) |  |

static private

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
| ) |  |

static private

## ◆ updateOutpuMap_()

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

static private