OpenMS
IsobaricQuantifierStatistics Class Reference

Statistics for quantitation performance and comparison of NNLS vs. naive method (aka matrix inversion) More...

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

Collaboration diagram for IsobaricQuantifierStatistics:
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Public Member Functions

 IsobaricQuantifierStatistics ()
 Create stats object. More...
 
void reset ()
 Reset statistics object. More...
 
 IsobaricQuantifierStatistics (const IsobaricQuantifierStatistics &other)
 Copy c'tor. More...
 
IsobaricQuantifierStatisticsoperator= (const IsobaricQuantifierStatistics &rhs)
 Assignment operator. More...
 

Public Attributes

Size channel_count
 4plex, 6plex, or 8 plex?! More...
 
Size iso_number_ms2_negative
 number of MS2 spectra where one or more channels had negative solution More...
 
Size iso_number_reporter_negative
 number of channels where naive solution was negative More...
 
Size iso_number_reporter_different
 number of channels >0 where naive solution was different; happens when naive solution is negative in other channels More...
 
double iso_solution_different_intensity
 absolute intensity difference between both solutions (for channels > 0) More...
 
double iso_total_intensity_negative
 only for spectra where naive solution is negative More...
 
Size number_ms2_total
 total number of MS2 spectra More...
 
Size number_ms2_empty
 number of empty MS2 (no reporters at all) More...
 
std::map< String, Sizeempty_channels
 Channel_ID -> Missing; indicating the number of empty channels from all MS2 scans, i.e., numbers are between number_ms2_empty and number_ms2_total. More...
 

Detailed Description

Statistics for quantitation performance and comparison of NNLS vs. naive method (aka matrix inversion)

Constructor & Destructor Documentation

◆ IsobaricQuantifierStatistics() [1/2]

Create stats object.

◆ IsobaricQuantifierStatistics() [2/2]

Member Function Documentation

◆ operator=()

Assignment operator.

◆ reset()

void reset ( )

Reset statistics object.

Member Data Documentation

◆ channel_count

Size channel_count

4plex, 6plex, or 8 plex?!

◆ empty_channels

std::map<String, Size> empty_channels

Channel_ID -> Missing; indicating the number of empty channels from all MS2 scans, i.e., numbers are between number_ms2_empty and number_ms2_total.

◆ iso_number_ms2_negative

Size iso_number_ms2_negative

number of MS2 spectra where one or more channels had negative solution

◆ iso_number_reporter_different

Size iso_number_reporter_different

number of channels >0 where naive solution was different; happens when naive solution is negative in other channels

◆ iso_number_reporter_negative

Size iso_number_reporter_negative

number of channels where naive solution was negative

◆ iso_solution_different_intensity

double iso_solution_different_intensity

absolute intensity difference between both solutions (for channels > 0)

◆ iso_total_intensity_negative

double iso_total_intensity_negative

only for spectra where naive solution is negative

◆ number_ms2_empty

Size number_ms2_empty

number of empty MS2 (no reporters at all)

◆ number_ms2_total

Size number_ms2_total

total number of MS2 spectra