OpenMS
RNPxlReport.h
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31 // $Maintainer: Timo Sachsenberg $
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34 
35 #pragma once
36 
40 
45 
46 namespace OpenMS
47 {
48 
50 struct OPENMS_DLLAPI RNPxlReportRow
51 {
52  bool no_id;
53  double rt;
54  double original_mz;
62  double score;
64  double RNA_weight;
65  double xl_weight;
69  double m_H;
70  double m_2H;
71  double m_3H;
72  double m_4H;
73  int rank;
74  String getString(const String& separator) const;
75 
76 };
77 
79 struct OPENMS_DLLAPI RNPxlReportRowHeader
80 {
81  static String getString(const String& separator);
82 };
83 
85 struct OPENMS_DLLAPI RNPxlReport
86 {
87  static std::vector<RNPxlReportRow> annotate(const PeakMap& spectra, std::vector<PeptideIdentification>& peptide_ids, double marker_ions_tolerance);
88 };
89 
90 }
91 
92 
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:72
A more convenient string class.
Definition: String.h:60
int Int
Signed integer type.
Definition: Types.h:102
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48
std::map< String, std::vector< std::pair< double, double > > > MarkerIonsType
name to mass-intensity pair
Definition: RNPxlMarkerIonExtractor.h:49
create header line
Definition: RNPxlReport.h:80
static String getString(const String &separator)
struct to hold a single report line
Definition: RNPxlReport.h:51
bool no_id
Definition: RNPxlReport.h:52
double m_H
Definition: RNPxlReport.h:69
double m_3H
Definition: RNPxlReport.h:71
double best_localization_score
Definition: RNPxlReport.h:58
double score
Definition: RNPxlReport.h:62
String localization_scores
Definition: RNPxlReport.h:59
double peptide_weight
Definition: RNPxlReport.h:63
double m_4H
Definition: RNPxlReport.h:72
int rank
Definition: RNPxlReport.h:73
double rel_prec_error
Definition: RNPxlReport.h:67
Int charge
Definition: RNPxlReport.h:61
String RNA
Definition: RNPxlReport.h:56
double RNA_weight
Definition: RNPxlReport.h:64
double xl_weight
Definition: RNPxlReport.h:65
RNPxlMarkerIonExtractor::MarkerIonsType marker_ions
Definition: RNPxlReport.h:68
String getString(const String &separator) const
double m_2H
Definition: RNPxlReport.h:70
String peptide
Definition: RNPxlReport.h:57
String best_localization
Definition: RNPxlReport.h:60
double original_mz
Definition: RNPxlReport.h:54
double abs_prec_error
Definition: RNPxlReport.h:66
double rt
Definition: RNPxlReport.h:53
String accessions
Definition: RNPxlReport.h:55
create report
Definition: RNPxlReport.h:86
static std::vector< RNPxlReportRow > annotate(const PeakMap &spectra, std::vector< PeptideIdentification > &peptide_ids, double marker_ions_tolerance)