MetaboTargetedTargetDecoy#
- class pyopenms.MetaboTargetedTargetDecoy#
Bases:
object
Cython implementation of _MetaboTargetedTargetDecoy
Original C++ documentation is available here
- __init__()#
Overload:
- __init__(self) None
Resolve overlapping fragments and missing decoys for experimental specific decoy generation in targeted/pseudo targeted metabolomics
Overload:
- __init__(self, in_0: MetaboTargetedTargetDecoy) None
Methods
Overload:
constructTargetDecoyMassMapping
(self, t_exp)Constructs a mass mapping of targets and decoys using the unique m_id identifier
generateMissingDecoysByMassShift
(self, ...)Generate a decoy for targets where fragmentation tree re-rooting was not possible, by adding a specifiable mass to the target fragments
resolveOverlappingTargetDecoyMassesByIndividualMassShift
(...)Resolves overlapping target and decoy transition masses by adding a specifiable mass (e.g.
- constructTargetDecoyMassMapping(self, t_exp: TargetedExperiment) List[MetaboTargetedTargetDecoy_MetaboTargetDecoyMassMapping] #
Constructs a mass mapping of targets and decoys using the unique m_id identifier
- Parameters:
t_exp – TransitionExperiment holds compound and transition information used for the mapping
- generateMissingDecoysByMassShift(self, t_exp: TargetedExperiment, mappings: List[MetaboTargetedTargetDecoy_MetaboTargetDecoyMassMapping], mass_to_add: float) None #
Generate a decoy for targets where fragmentation tree re-rooting was not possible, by adding a specifiable mass to the target fragments
- Parameters:
t_exp – TransitionExperiment holds compound and transition information
mappings – Map of identifier to target and decoy masses
mass_to_add – The maximum number of transitions required per assay
- resolveOverlappingTargetDecoyMassesByIndividualMassShift(self, t_exp: TargetedExperiment, mappings: List[MetaboTargetedTargetDecoy_MetaboTargetDecoyMassMapping], mass_to_add: float) None #
Resolves overlapping target and decoy transition masses by adding a specifiable mass (e.g. CH2) to the overlapping decoy fragment
- Parameters:
t_exp – TransitionExperiment holds compound and transition information
mappings – Map of identifier to target and decoy masses
mass_to_add – (e.g. CH2)