\(\renewcommand\AA{\unicode{x212B}}\)

MsdGauss

Description

The Gaussian model for Mean-squared displacement fitting is defined as:

\[\mbox{Height} \cdot e^{\left(\frac{-x^2 \cdot MSD}{6}\right)}\]

where:

• \(MSD\) is the mean squared displacement

• \(Height\) is the intensity scaling

Here the MSD is not the same as mean square fluctuations (MSF) which approximately corresponds to half of the MSD in a one-dimensional harmonic system [1].

Properties (fitting parameters)

Name	Default	Description
Height	1.0	Height
Msd	0.05	Mean square displacement

References

1. Kurkal-Siebert, V. , Daniel, R. , Finney J. , Tehei, M. , Dunn, R. and Smith J. (2006) ‘Enzyme hydration, activity and flexibility: A neutron scattering approach’, Journal of Non-Crystalline Solids, Vol.352(42-49), pp.4387-4393

Categories: FitFunctions | QuasiElastic

Source

Python: MsdGauss.py