OpenMS
MultiplexFilteringCentroided.h
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1 // Copyright (c) 2002-present, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
2 // SPDX-License-Identifier: BSD-3-Clause
3 //
4 // --------------------------------------------------------------------------
5 // $Maintainer: Lars Nilse $
6 // $Authors: Lars Nilse $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
20 
21 #include <vector>
22 #include <algorithm>
23 #include <iostream>
24 
25 namespace OpenMS
26 {
39  class OPENMS_DLLAPI MultiplexFilteringCentroided :
40  public MultiplexFiltering
41  {
42 public:
59  MultiplexFilteringCentroided(const MSExperiment& exp_centroided, const std::vector<MultiplexIsotopicPeakPattern>& patterns, int isotopes_per_peptide_min, int isotopes_per_peptide_max, double intensity_cutoff, double rt_band, double mz_tolerance, bool mz_tolerance_unit, double peptide_similarity, double averagine_similarity, double averagine_similarity_scaling, String averagine_type="peptide");
60 
67  std::vector<MultiplexFilteredMSExperiment> filter();
68 
69  };
70 
71 }
72 
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:45
filters centroided data for peak patterns
Definition: MultiplexFilteringCentroided.h:41
std::vector< MultiplexFilteredMSExperiment > filter()
filter for patterns (generates a filter result for each of the patterns)
MultiplexFilteringCentroided(const MSExperiment &exp_centroided, const std::vector< MultiplexIsotopicPeakPattern > &patterns, int isotopes_per_peptide_min, int isotopes_per_peptide_max, double intensity_cutoff, double rt_band, double mz_tolerance, bool mz_tolerance_unit, double peptide_similarity, double averagine_similarity, double averagine_similarity_scaling, String averagine_type="peptide")
constructor
base class for filtering centroided and profile data for peak patterns
Definition: MultiplexFiltering.h:49
A more convenient string class.
Definition: String.h:34
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19