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MzQCFile.h
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1// Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
2// SPDX-License-Identifier: BSD-3-Clause
3//
4// --------------------------------------------------------------------------
5// $Maintainer: Axel Walter $
6// $Authors: Axel Walter $
7// --------------------------------------------------------------------------
8
9#pragma once
10
13#include <vector>
14
15namespace OpenMS
16{
17 class FeatureMap;
18
26 class OPENMS_DLLAPI MzQCFile
27 {
28 public:
29 // Default constructor
30 MzQCFile() = default;
31
45 void store(const String& input_file,
46 const String& output_file,
47 const MSExperiment& exp,
48 const String& contact_name,
49 const String& contact_address,
50 const String& description,
51 const String& label,
52 const FeatureMap& feature_map,
53 std::vector<ProteinIdentification>& prot_ids,
54 PeptideIdentificationList& pep_ids) const;
55 };
56}
A container for features.
Definition FeatureMap.h:82
In-Memory representation of a mass spectrometry run.
Definition MSExperiment.h:49
File adapter for mzQC files used to load and store mzQC files.
Definition MzQCFile.h:27
MzQCFile()=default
void store(const String &input_file, const String &output_file, const MSExperiment &exp, const String &contact_name, const String &contact_address, const String &description, const String &label, const FeatureMap &feature_map, std::vector< ProteinIdentification > &prot_ids, PeptideIdentificationList &pep_ids) const
Stores QC data in mzQC file with JSON format.
Container for peptide identifications from multiple spectra.
Definition PeptideIdentificationList.h:66
A more convenient string class.
Definition String.h:34
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19