SpectrumAlignment

class pyopenms.SpectrumAlignment

Bases: object

Cython implementation of _SpectrumAlignment

Original C++ documentation is available here

– Inherits from [‘DefaultParamHandler’]

Aligns the peaks of two sorted spectra Method 1: Using a banded (width via ‘tolerance’ parameter) alignment if absolute tolerances are given

Scoring function is the m/z distance between peaks. Intensity does not play a role!

Method 2: If relative tolerance (ppm) is specified a simple matching of peaks is performed: Peaks from s1 (usually the theoretical spectrum) are assigned to the closest peak in s2 if it lies in the tolerance window

note: A peak in s2 can be matched to none, one or multiple peaks in s1. Peaks in s1 may be matched to none or one peak in s2 note: Intensity is ignored

__init__()

Overload:

__init__(self) → None

Overload:

__init__(self, in_0: SpectrumAlignment) → None

Methods

__init__
getDefaults(self)	Returns the default parameters
getName(self)	Returns the name
getParameters(self)	Returns the parameters
getSpectrumAlignment
getSubsections(self)
setName(self, in_0)	Sets the name
setParameters(self, param)	Sets the parameters

getDefaults(self) → Param

Returns the default parameters

getName(self) → bytes | str | String

Returns the name

getParameters(self) → Param

Returns the parameters

getSpectrumAlignment()

getSubsections(self) → List[bytes]

setName(self, in_0: bytes | str | String) → None

Sets the name

setParameters(self, param: Param) → None

Sets the parameters