SiriusMSFile Class Reference

#include <OpenMS/ANALYSIS/ID/SiriusMSConverter.h>

Static Public Member Functions
static void	store (const PeakMap &spectra, const OpenMS::String &msfile, const FeatureMapping::FeatureToMs2Indices &feature_mapping, const bool &feature_only, const int &isotope_pattern_iterations, const bool no_mt_info)
	Internal structure used in SiriusAdapter that is used for the conversion of a MzMlFile to an internal format. More...

Member Function Documentation

store()

static void store ( const PeakMap &  spectra, const OpenMS::String &  msfile, const FeatureMapping::FeatureToMs2Indices &  feature_mapping, const bool &  feature_only, const int &  isotope_pattern_iterations, const bool  no_mt_info  )

static

Internal structure used in SiriusAdapter that is used for the conversion of a MzMlFile to an internal format.

Store .ms file. Adducts are written to SIRIUS .ms file. If adduct information for a spectrum is missing, no adduct information is written. In this case, SIRIUS assumes default adducts for the respective spectrum.

Returns

string (full path to file)

Parameters

spectra	Peakmap from input mzml
msfile	(internal) written .ms file from sirius
map_precursor_to_adducts	adducts of a spectrum (index).