OpenMS
2.8.0
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#include <OpenMS/FORMAT/MzTabFile.h>
Go to the source code of this file.
Classes | |
class | CsiFingerIdMzTabWriter |
class | CsiFingerIdMzTabWriter::CsiAdapterHit |
Internal structure used in SiriusAdapter that is used for the conversion of the Csi:FingerID output to an mzTab. More... | |
class | CsiFingerIdMzTabWriter::CsiAdapterIdentification |
class | CsiFingerIdMzTabWriter::CsiAdapterRun |
Namespaces | |
OpenMS | |
Main OpenMS namespace. | |
class OpenMS::CsiFingerIdMzTabWriter::CsiAdapterHit |
Internal structure used in SiriusAdapter that is used for the conversion of the Csi:FingerID output to an mzTab.
CsiAdapterHit: inchikey2D (String) inchi (String) rank (int) - Rank of the identification for a compound (spectrum) calculated by CSI:FingerID molecular_formula (String) - sumformula score (int) - Score of the identification for a compound (spectrum) calculated by CSI:FingerID name (String) smiles (String) pubchemids (vector<String>) - PubChemID as reference links (vector<String>) - Links to the database
CsiAdapterIdentification: scan_index (int) - Index of the spectrum used for identification scan_number (int) - NativeId of the spectrum used for identification feature_id (String) - FeatureId (if spectrum was assigned to a feature) hits (vector<CsiAdapterHit>)
CsiAdapterRun: identifications (vector<CSIAdapterIdentification>)
Class Members | ||
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String | adduct | |
String | dbflags | |
unsigned int | formula_rank | |
String | inchi | |
String | inchikey2D | |
vector< String > | links | |
String | molecular_formula | |
String | name | |
vector< String > | pubchemids | |
unsigned int | rank | |
double | score | |
String | smiles | |
String | xlogp |
class OpenMS::CsiFingerIdMzTabWriter::CsiAdapterIdentification |
Class Members | ||
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String | feature_id | |
vector< CsiAdapterHit > | hits | |
double | mz | |
StringList | native_ids | |
double | rt | |
int | scan_index | |
int | scan_number |
class OpenMS::CsiFingerIdMzTabWriter::CsiAdapterRun |
Class Members | ||
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vector< CsiAdapterIdentification > | identifications |