OpenMS
2.8.0
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#include <OpenMS/ANALYSIS/MAPMATCHING/FeatureMapping.h>
#include <OpenMS/KERNEL/StandardTypes.h>
#include <OpenMS/METADATA/SpectrumLookup.h>
#include <fstream>
Go to the source code of this file.
Classes | |
class | SiriusMSFile |
class | SiriusMSFile::AccessionInfo |
< class to store information about accessions More... | |
class | SiriusMSFile::CompoundInfo |
Namespaces | |
OpenMS | |
Main OpenMS namespace. | |
class OpenMS::SiriusMSFile::AccessionInfo |
< class to store information about accessions
class to store the compound information needed for the mapping of compound and fragment annotated spectrum
Class Members | ||
---|---|---|
String | native_id_accession | nativeID accession for mztab-m |
String | native_id_type | nativeID type for mztab-m |
String | sf_accession | sourcefile accessions for mztab-m |
String | sf_filename | sourcefile name for mztab-m |
String | sf_path | sourcefile path for mztab-m |
String | sf_type | sourcefile type for mztab-m |
class OpenMS::SiriusMSFile::CompoundInfo |
Class Members | ||
---|---|---|
int | charge | precursor/feature charge |
String | cmp | query_id used compound in .ms file |
String | des | description/name of the compound |
String | fid | annotated feature_id (if available) |
double | fmz | annotated mass of a feature (if available) |
String | formula | sumformula of the compound |
String | ionization | adduct information |
vector< String > | m_ids | native ids and identifier for multiple possible identification via AMS ("|" separator) |
String | m_ids_id | concatenated list of native ids and identifier for multiple possible identification via AMS ("|" separator) used for mapping of compounds and the annotated spectrum. |
vector< String > | native_ids | native ids of the associated spectra |
String | native_ids_id | concatenated list of the associated spectra |
double | pint_mono | parent/precursor intensity of the compound |
double | pmass | parent/precursor mass of the compound |
double | rt | retention time of the compound |
vector< String > | scan_indices | index of the associated spectra |
String | source_file | sourcefile for mztab-m |
String | source_format | format of the sourcefile for mztab-m |
String | specref_format | spectra ref format for mztab-m |
vector< String > | specrefs | spectra reference for mztab-m |