GaussTraceFitter

class pyopenms.GaussTraceFitter

Bases: object

Cython implementation of _GaussTraceFitter

Original C++ documentation is available here

__init__()

Overload:

__init__(self) → None

Fitter for RT profiles using a Gaussian background model

Overload:

__init__(self, in_0: GaussTraceFitter) → None

Methods

__init__	Overload:
checkMaximalRTSpan(self, max_rt_span)
checkMinimalRTSpan(self, rt_bounds, min_rt_span)
computeTheoretical(self, trace, k)
fit(self, traces)	Override important methods
getArea(self)	Returns area of the fitted gaussian model
getCenter(self)	Returns center of the fitted gaussian model
getFWHM(self)	Returns FWHM of the fitted gaussian model
getGnuplotFormula(self, trace, ...)
getHeight(self)	Returns height of the fitted gaussian model
getLowerRTBound(self)	Returns the lower RT bound
getSigma(self)	Returns Sigma of the fitted gaussian model
getUpperRTBound(self)	Returns the upper RT bound
getValue(self, rt)	Returns value of the fitted gaussian model

checkMaximalRTSpan(self, max_rt_span: float) → bool

checkMinimalRTSpan(self, rt_bounds: List[float, float], min_rt_span: float) → bool

computeTheoretical(self, trace: MassTrace, k: int) → float

fit(self, traces: MassTraces) → None

Override important methods

getArea(self) → float

Returns area of the fitted gaussian model

getCenter(self) → float

Returns center of the fitted gaussian model

getFWHM(self) → float

Returns FWHM of the fitted gaussian model

getGnuplotFormula(self, trace: MassTrace, function_name: bytes, baseline: float, rt_shift: float) → bytes | str | String

getHeight(self) → float

Returns height of the fitted gaussian model

getLowerRTBound(self) → float

Returns the lower RT bound

getSigma(self) → float

Returns Sigma of the fitted gaussian model

getUpperRTBound(self) → float

Returns the upper RT bound

getValue(self, rt: float) → float

Returns value of the fitted gaussian model