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OpenMS
2.5.0
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101 static std::vector<MetaboTargetedAssay> extractMetaboTargetedAssay(
const MSExperiment& spectra,
103 const double& precursor_rt_tol,
104 const double& precursor_mz_distance,
105 const double& cosine_sim_threshold,
106 const double& transition_threshold,
107 const double& min_fragment_mz,
108 const double& max_fragment_mz,
109 const bool& method_consensus_spectrum,
110 const bool& exclude_ms2_precursor,
111 const unsigned int& file_counter);
129 static std::vector<MetaboTargetedAssay> extractMetaboTargetedAssayFragmentAnnotation(
const std::vector< CompoundSpectrumPair >& v_cmp_spec,
130 const double& transition_threshold,
131 const double& min_fragment_mz,
132 const double& max_fragment_mz,
133 const bool& use_exact_mass,
134 const bool& exclude_ms2_precursor,
135 const unsigned int& file_counter);
A more convenient string class.
Definition: String.h:58
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
Represents a compound (small molecule)
Definition: TargetedExperimentHelper.h:333
A 1-dimensional raw data point or peak.
Definition: Peak1D.h:54
Definition: FeatureMapping.h:48