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1 // Copyright (c) 2002-2023, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
2 // SPDX-License-Identifier: BSD-3-Clause
3 //
4 // --------------------------------------------------------------------------
5 // $Maintainer: Timo Sachsenberg $
6 // $Authors: Stephan Aiche, Chris Bielow $
7 // --------------------------------------------------------------------------
9 #pragma once
11 #include <OpenMS/CONCEPT/Types.h>
13 #include <map>
15 namespace OpenMS
16 {
17  class String;
22  class OPENMS_DLLAPI IsobaricQuantifierStatistics
23  {
24  public:
33  void reset();
43  std::map<String, Size> empty_channels;
50  };
51 } // namespace
Statistics for quantitation performance and comparison of NNLS vs. naive method (aka matrix inversion...
Definition: IsobaricQuantifierStatistics.h:23
Size number_ms2_total
total number of MS2 spectra
Definition: IsobaricQuantifierStatistics.h:41
std::map< String, Size > empty_channels
Channel_ID -> Missing; indicating the number of empty channels from all MS2 scans,...
Definition: IsobaricQuantifierStatistics.h:43
Size channel_count
4plex, 6plex, or 8 plex?!
Definition: IsobaricQuantifierStatistics.h:35
Size iso_number_reporter_different
number of channels >0 where naive solution was different; happens when naive solution is negative in ...
Definition: IsobaricQuantifierStatistics.h:38
double iso_solution_different_intensity
absolute intensity difference between both solutions (for channels > 0)
Definition: IsobaricQuantifierStatistics.h:39
Create stats object.
Size number_ms2_empty
number of empty MS2 (no reporters at all)
Definition: IsobaricQuantifierStatistics.h:42
double iso_total_intensity_negative
only for spectra where naive solution is negative
Definition: IsobaricQuantifierStatistics.h:40
Size iso_number_reporter_negative
number of channels where naive solution was negative
Definition: IsobaricQuantifierStatistics.h:37
Size iso_number_ms2_negative
number of MS2 spectra where one or more channels had negative solution
Definition: IsobaricQuantifierStatistics.h:36
IsobaricQuantifierStatistics & operator=(const IsobaricQuantifierStatistics &rhs)
Assignment operator.
void reset()
Reset statistics object.
IsobaricQuantifierStatistics(const IsobaricQuantifierStatistics &other)
Copy c'tor.
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:101
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:22