MRMIonSeries

class pyopenms.MRMIonSeries

Bases: object

Cython implementation of _MRMIonSeries

Original C++ documentation is available here

__init__()

Overload:

__init__(self) → None

Overload:

__init__(self, in_0: MRMIonSeries) → None

Methods

__init__	Overload:
annotateTransition(self, tr, peptide, ...)	Annotates transition
annotateTransitionCV(self, tr, annotation)	Annotates transition with CV terms

annotateTransition(self, tr: ReactionMonitoringTransition, peptide: Peptide, precursor_mz_threshold: float, product_mz_threshold: float, enable_reannotation: bool, fragment_types: List[bytes], fragment_charges: List[int], enable_specific_losses: bool, enable_unspecific_losses: bool, round_decPow: int) → None

Annotates transition

Parameters:

• tr – The transition to annotate

• peptide – The corresponding peptide

• precursor_mz_threshold – The m/z threshold for annotation of the precursor ion

• product_mz_threshold – The m/z threshold for annotation of the fragment ion

• enable_reannotation – Whether the original (e.g. SpectraST) annotation should be used or reannotation should be conducted

• fragment_types – The fragment ion types for reannotation

• fragment_charges – The fragment ion charges for reannotation

• enable_specific_losses – Whether specific neutral losses should be considered

• enable_unspecific_losses – Whether unspecific neutral losses (H2O1, H3N1, C1H2N2, C1H2N1O1) should be considered

• round_decPow – Round precursor and product m/z values to decimal power (default: -4)

annotateTransitionCV(self, tr: ReactionMonitoringTransition, annotation: bytes | str | String) → None

Annotates transition with CV terms

Parameters:

• tr – The transition to annotate

• annotation – The fragment ion annotation