MRMIonSeries

class pyopenms.MRMIonSeries

Bases: object

Cython implementation of _MRMIonSeries

Documentation is available at http://www.openms.de/current_doxygen/html/classOpenMS_1_1MRMIonSeries.html

__init__()

  • Cython signature: void MRMIonSeries()

  • Cython signature: void MRMIonSeries(MRMIonSeries &)

Methods

__init__

  • Cython signature: void MRMIonSeries()

annotateTransition

Cython signature: void annotateTransition(ReactionMonitoringTransition & tr, Peptide peptide, double precursor_mz_threshold, double product_mz_threshold, bool enable_reannotation, libcpp_vector[String] fragment_types, libcpp_vector[size_t] fragment_charges, bool enable_specific_losses, bool enable_unspecific_losses, int round_decPow)

annotateTransitionCV

Cython signature: void annotateTransitionCV(ReactionMonitoringTransition & tr, String annotation)
annotateTransition()

Cython signature: void annotateTransition(ReactionMonitoringTransition & tr, Peptide peptide, double precursor_mz_threshold, double product_mz_threshold, bool enable_reannotation, libcpp_vector[String] fragment_types, libcpp_vector[size_t] fragment_charges, bool enable_specific_losses, bool enable_unspecific_losses, int round_decPow)

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()

Cython signature: void annotateTransitionCV(ReactionMonitoringTransition & tr, String annotation)

Parameters

  • tr – The transition to annotate

  • annotation – The fragment ion annotation