ProteoWizard
SpectrumInfo.hpp
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1//
2// $Id$
3//
4//
5// Original author: Darren Kessner <darren@proteowizard.org>
6//
7// Copyright 2008 Spielberg Family Center for Applied Proteomics
8// Cedars-Sinai Medical Center, Los Angeles, California 90048
9//
10// Licensed under the Apache License, Version 2.0 (the "License");
11// you may not use this file except in compliance with the License.
12// You may obtain a copy of the License at
13//
14// http://www.apache.org/licenses/LICENSE-2.0
15//
16// Unless required by applicable law or agreed to in writing, software
17// distributed under the License is distributed on an "AS IS" BASIS,
18// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
19// See the License for the specific language governing permissions and
20// limitations under the License.
21//
22
23
24#ifndef _SPECTRUMINFO_HPP_
25#define _SPECTRUMINFO_HPP_
26
27
29#include "MSData.hpp"
30
31
32namespace pwiz {
33namespace msdata {
34
35
36/// simple structure for holding Spectrum info
38{
39 /// structure for Precursor info
41 {
42 size_t index;
43 double mz;
44 double intensity;
45 double charge;
46
47 PrecursorInfo() : index((size_t)-1), mz(0), intensity(0), charge(0) {}
48 };
49
50 size_t index;
51 std::string id;
57 double retentionTime; // seconds
58 std::string filterString;
59 double mzLow;
60 double mzHigh;
61 double basePeakMZ;
66 std::vector<PrecursorInfo> precursors;
67 size_t dataSize;
68 std::vector<MZIntensityPair> data;
69
71 SpectrumInfo(const Spectrum& spectrum);
72
73 void update(const Spectrum& spectrum, bool getBinaryData = false);
75
76 // some helper functions
77 std::string massAnalyzerTypeAbbreviation() const;
78 double mzFromFilterString() const;
79};
80
81
82} // namespace msdata
83} // namespace pwiz
84
85
86#endif // _SPECTRUMINFO_HPP_
87
#define PWIZ_API_DECL
Definition Export.hpp:32
The structure that captures the generation of a peak list (including the underlying acquisitions)
Definition MSData.hpp:506
simple structure for holding Spectrum info
std::vector< PrecursorInfo > precursors
void update(const Spectrum &spectrum, bool getBinaryData=false)
SpectrumInfo(const Spectrum &spectrum)
std::vector< MZIntensityPair > data
std::string massAnalyzerTypeAbbreviation() const
double mzFromFilterString() const