MultivariateGaussianComptonProfile

Description

The fitted function for y-Space converted values is as described by G. Romanelli. [1].

J(y)=12πσxσyσz2π01d(cosθ)0π2dϕS2(θ,ϕ)exp(y22S2(θ,ϕ))

Where S2(θ,ϕ) is given by:

1S2(θ,ϕ)=sin2θcos2ϕσx2+sin2θsin2ϕσy2+cos2θσz2

The A3 Final State Effects (FSE) correction is applied as an additive correction expressed as:

A3(q)d3dy3J(y)=σx4+σx4+σx492πσxσyσzq01d(cosθ)0π2dϕ[y3S2(θ,ϕ)43yS2(θ,ϕ)2]S2(θ,ϕ)exp(y22S2(θ,ϕ))

Attributes (non-fitting parameters)

Name

Type

Default

Description

IntegrationSteps

Integer

256

Length of each dimension of integration grid (must be even)

Properties (fitting parameters)

Name

Default

Description

Mass

0.0

Atomic mass (amu)

Intensity

1.0

Gaussian intensity parameter

SigmaX

1.0

Sigma X parameter

SigmaY

1.0

Sigma Y parameter

SigmaZ

1.0

Sigma Z parameter

References

Categories: FitFunctions | General

Source

C++ header: MultivariateGaussianComptonProfile.h

C++ source: MultivariateGaussianComptonProfile.cpp