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OpenMS
2.5.0
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#include <OpenMS/FORMAT/MzTabFile.h>
Go to the source code of this file.
Classes | |
class | SiriusMzTabWriter |
struct | SiriusMzTabWriter::SiriusAdapterHit |
Internal structure used in SiriusAdapter that is used for the conversion of the sirius output to an mzTab.SiriusAdapterHit: formula (String) - Sumformula adduct (String) - Assigned adduct rank (int) - Rank of the possible sumformula for a compound (spectrum) calculated by Sirius score (double) - Overall score of the possible sumformula for a compound (spectrum) calculated by Sirius treescore (double) - Fragmentation pattern score isoscore (double) - Isotope pattern score explainedpeaks (int) - Number of explained peaks explainedintensity (double) - Relative amount of explained intensity. More... | |
struct | SiriusMzTabWriter::SiriusAdapterIdentification |
struct | SiriusMzTabWriter::SiriusAdapterRun |
Namespaces | |
OpenMS | |
Main OpenMS namespace. | |
struct OpenMS::SiriusMzTabWriter::SiriusAdapterHit |
Internal structure used in SiriusAdapter that is used for the conversion of the sirius output to an mzTab.
SiriusAdapterHit: formula (String) - Sumformula adduct (String) - Assigned adduct rank (int) - Rank of the possible sumformula for a compound (spectrum) calculated by Sirius score (double) - Overall score of the possible sumformula for a compound (spectrum) calculated by Sirius treescore (double) - Fragmentation pattern score isoscore (double) - Isotope pattern score explainedpeaks (int) - Number of explained peaks explainedintensity (double) - Relative amount of explained intensity.
SiriusAdapterIdentification: scan_index (int) - Index of the spectrum used scan_number (int) - NativeId of the spectrum used feature_id (String) - FeatureId (if spectrum was assigned to a feature) hits (vector<SiriusAdapterHit>)
SiriusAdapterRun: identifications (vector<SiriusAdapterIdentification>)
Store a specific
number | of lines from sirius output |
Class Members | ||
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String | adduct | |
double | explainedintensity | |
int | explainedpeaks | |
String | formula | |
double | isoscore | |
int | rank | |
double | score | |
double | treescore |
struct OpenMS::SiriusMzTabWriter::SiriusAdapterIdentification |
struct OpenMS::SiriusMzTabWriter::SiriusAdapterRun |
Class Members | ||
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vector< SiriusAdapterIdentification > | identifications |