QENS fitting workshop (part of EU SINE2020 WP10) 11-12th Sep 2017
11 Sep 2017



Coordinated by Anders Markvardsen, ISIS Neutron and Muon Source and Thomas Holm Rod, ESS






The 3 main topics for the workshop are:

  1. Explore how far we can go with the fitting tools already implemented in Mantid, what are its current limits and then define a common strategy on how to surpass these
  2. look at the possibility of creating an independent library of models for QENS fitting
  3. Discuss other functionalities that are desirable to have available, for example correcting for sample absorption, multiple scattering and other similar sample artefacts




12:00     Lunch (served in the conference room)

13:00     Welcome (Anders Markvardsen and Thomas Holm Rod on SINE2020)

13:15     Experiences as a QENS user, instrument science and/or software developer  + (any) current plans for QENS software development, ~20-25mins per facility

15:30     Photos, Coffee and Biscuits

16:00     First session focussed on topic 1 (all) - while updating a document on this

  • Define what QENS fitting should do and what questions it should answer
  • To what extent can these questions be answered with the implementation already in Mantid
  • Current limits and define a strategy on how to surpass these
  • Other?

17:00     Adjourn


Monday Evening

18:30     Dinner




9:00        Session focussed on topic 2

  • Sasview as an example where models have been separated out (Thomas Holm Rod)
  • Approximately how many QENS models exist, do they vary in complexity, can they be grouped? (all)
  • Other?

10:15     Coffee and biscuits

10:30     Session focused on topic 3

12:00     Lunch

13:00     Second session focussed on topic 1 – while updating a document on this (all)

14:00     If there is any time left:

  • when is fitting QENS models to data not enough
  • when is it required/essential to 'fit' MD simulations (classical or quantum) to QENS data
  • Other suggestions?

14:45     Closeout (Anders/All)

15:00     Adjourn

Contact: Fletcher, Sara (STFC,RAL,ISIS)