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OpenSwath_Scores Struct Reference

A structure to hold the different scores computed by OpenSWATH. More...

#include <OpenMS/ANALYSIS/OPENSWATH/OpenSwathScoring.h>

Public Member Functions

 OpenSwath_Scores ()
 
double get_quick_lda_score (double library_corr_, double library_norm_manhattan_, double norm_rt_score_, double xcorr_coelution_score_, double xcorr_shape_score_, double log_sn_score_)
 
double calculate_lda_prescore (OpenSwath_Scores scores)
 
double calculate_swath_lda_prescore (OpenSwath_Scores scores)
 

Public Attributes

double elution_model_fit_score
 
double library_corr
 
double library_norm_manhattan
 
double library_rootmeansquare
 
double library_sangle
 
double norm_rt_score
 
double isotope_correlation
 
double isotope_overlap
 
double massdev_score
 
double xcorr_coelution_score
 
double xcorr_shape_score
 
double yseries_score
 
double bseries_score
 
double log_sn_score
 
double weighted_coelution_score
 
double weighted_xcorr_shape
 
double weighted_massdev_score
 
double xcorr_ms1_coelution_score
 
double xcorr_ms1_shape_score
 
double ms1_ppm_score
 
double ms1_isotope_correlation
 
double ms1_isotope_overlap
 
double library_manhattan
 
double library_dotprod
 
double intensity
 
double total_xic
 
double nr_peaks
 
double sn_ratio
 
double rt_difference
 
double normalized_experimental_rt
 
double raw_rt_score
 
double dotprod_score_dia
 
double manhatt_score_dia
 

Detailed Description

A structure to hold the different scores computed by OpenSWATH.

This struct is used to store the individual OpenSWATH (sub-)scores. It also allows to compute some preliminary quality score for a feature by using a predefined combination of the individual scores determined using LDA.

Constructor & Destructor Documentation

OpenSwath_Scores ( )
inline

Member Function Documentation

double calculate_lda_prescore ( OpenSwath_Scores  scores)
inline
double calculate_swath_lda_prescore ( OpenSwath_Scores  scores)
inline
double get_quick_lda_score ( double  library_corr_,
double  library_norm_manhattan_,
double  norm_rt_score_,
double  xcorr_coelution_score_,
double  xcorr_shape_score_,
double  log_sn_score_ 
)
inline

Member Data Documentation

double bseries_score
double dotprod_score_dia
double elution_model_fit_score
double intensity
double isotope_correlation
double isotope_overlap
double library_corr
double library_dotprod
double library_manhattan
double library_norm_manhattan
double library_rootmeansquare
double library_sangle
double log_sn_score
double manhatt_score_dia
double massdev_score
double ms1_isotope_correlation
double ms1_isotope_overlap
double ms1_ppm_score
double norm_rt_score
double normalized_experimental_rt
double nr_peaks
double raw_rt_score
double rt_difference
double sn_ratio
double total_xic
double weighted_coelution_score
double weighted_massdev_score
double weighted_xcorr_shape
double xcorr_coelution_score
double xcorr_ms1_coelution_score
double xcorr_ms1_shape_score
double xcorr_shape_score
double yseries_score

OpenMS / TOPP release 2.0.0 Documentation generated on Tue Nov 1 2016 16:34:46 using doxygen 1.8.11