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OpenMS
2.6.0
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107 const bool& feature_only,
108 const int& isotope_pattern_iterations,
109 const bool no_mt_info,
110 std::vector<SiriusMSFile::CompoundInfo>& v_cmpinfo);
138 static void writeMsFile_(std::ofstream& os,
140 const std::vector<size_t>& ms2_spectra_index,
143 const std::vector<String>& v_description,
144 const std::vector<String>& v_sumformula,
145 const std::vector<std::pair<double,double>>& f_isotopes,
147 uint64_t& feature_id,
148 const double& feature_rt,
149 const double& feature_mz,
151 const bool& no_masstrace_info_isotope_pattern,
152 const int& isotope_pattern_iterations,
153 int& count_skipped_spectra,
154 int& count_assume_mono,
156 std::vector<SiriusMSFile::CompoundInfo>& v_cmpinfo);
Definition: SiriusMSConverter.h:45
String formula
sumformula of the compound
Definition: SiriusMSConverter.h:69
std::vector< String > specrefs
spectra reference for mztab-m
Definition: SiriusMSConverter.h:79
std::vector< String > native_ids
native ids of the associated spectra
Definition: SiriusMSConverter.h:76
String native_id_type
nativeID type for mztab-m
Definition: SiriusMSConverter.h:56
A more convenient string class.
Definition: String.h:59
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
String ionization
adduct information
Definition: SiriusMSConverter.h:71
std::vector< String > mids
native ids and identifier for multiple possible identification via AMS
Definition: SiriusMSConverter.h:77
double pmass
parent/precursor mass of the compound
Definition: SiriusMSConverter.h:64
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
std::vector< String > scan_indices
index of the associated spectra
Definition: SiriusMSConverter.h:78
Definition: SiriusMSConverter.h:50
String cmp
query_id used compound in .ms file
Definition: SiriusMSConverter.h:63
String native_id_accession
nativeID accession for mztab-m
Definition: SiriusMSConverter.h:55
String source_format
format of the sourcefile for mztab-m
Definition: SiriusMSConverter.h:75
double rt
retention time of the compound
Definition: SiriusMSConverter.h:66
String source_file
sourcefile for mztab-m
Definition: SiriusMSConverter.h:74
String sf_accession
sourcefile accessions for mztab-m
Definition: SiriusMSConverter.h:54
String fid
annotated feature_id (if available)
Definition: SiriusMSConverter.h:68
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:70
Definition: FeatureMapping.h:48
Definition: SiriusMSConverter.h:61
double pint_mono
parent/precursor intensity of the compound
Definition: SiriusMSConverter.h:65
String des
description/name of the compound
Definition: SiriusMSConverter.h:72
String sf_path
sourcefile path for mztab-m
Definition: SiriusMSConverter.h:52
int charge
precursor/feature charge
Definition: SiriusMSConverter.h:70
String sf_type
sourcefile type for mztab-m
Definition: SiriusMSConverter.h:53
double fmz
annotated mass of a feature (if available)
Definition: SiriusMSConverter.h:67
String specref_format
spectra ref format for mztab-m
Definition: SiriusMSConverter.h:73