ISISNeutronMuon / ISISNeutronMuon/MDMC

Use I(q,t) for fitting instead of S(q,w)

Open
#1,693 0 comments 0 reactions 0 assignees View on GitHub
enhancement PT
Dominant language
Python
Stars
4
Forks
0
Avg merge
2d 4h
Merged PRs (30d)
5

Description

**Is your feature request related to a problem? Please describe.**
We have been asked to enable the use of I(q,t) as the observable in MDMC refinement as an alternative to S(q,w).

**Describe the solution you'd like**
Since we already calculate the intermediate scattering function, it should be possible to add an observable name or a keyword argument which will allow us to switch from S(q,w) to I(q,t) without adding new calculations to the code.

**Describe alternatives you've considered**
We could insist on calculating S(q,w) from the input I(q,t) instead, but the cleanest approach would be not to change the reference input data, but to match the output of the code to whatever input we have been given.

**Additional context**
This can be combined with #1685

Contributor guide

No contributing guide indexed for this repository

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.