qensfit 0.0.1

A library for fitting Quasielastic Neutron Scattering data.

QENSFit documentation

QENSFit is a little library that enables easy fitting of Quasielastic Neutron Scattering data.

It borrows some concepts from the popular lmfit package, such as the Model and Parameter objects, but everything is implemented from scratch to make it compatible with Global Fitting procedures, which are essential for QENS data.

USAGE:

• Use LoadAscii to load data reduced with Mantid, or load your data another way and then organise it in a dictionary of QENSDataset instances. Loading of multiple datasets is supported.

• Define your model function to fit the data. Constants are also supported.

• Declare a list of Parameter obejcts to control their initial value, bounds, and whether the parameter is fixed and/or global.

• Declare a model instance using the function you wrote before as the target, and feed it the list of Parameter objects and the QENSDataset.

• Run the fit.

• Plot fits and parameters, and Save your results.