QENS Fitting Workshop: Advancing Tools and Strategies
Explore the current limits of QENS fitting tools in Mantid, discuss strategies to surpass these limits, and consider creating an independent library of models. Agenda includes sessions on defining QENS fitting goals, desired functionalities, and experiences as a QENS user or developer. Engage in sessions addressing topics such as sample absorption correction, multiple scattering, and more to enhance QENS fitting capabilities.
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Intro: QENS fitting workshop A SINE2020 workshop Anders Markvardsen ISIS, 11-12thSep, 2017
Main topics to cover 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
Agenda will go on ISIS/STFC web And teleconference participants Monday 12:00 13:00 13:15 + (any) current plans for QENS software development, ~20-25mins per facility ESS (Thomas) Juelich (Joachim) ISIS (Sanghamitra and where relevant others from the ISIS spectroscopy group) ILL (Miguel) SNS (Timmy) PSI (Anders on Fanni s behalf) 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 Lunch (served in the conference room) Welcome (Anders and Thomas on SINE2020) Experiences as a QENS user, instrument science and/or software developer Monday Evening 18:30 Dinner at a traditional English pub
Tuesday Tuesday Morning 9:00 Sasview as an example where models have been separated out (Thomas) Approximately how many QENS models exists, do they vary in complexity, can they be grouped? (all) Other? 10:15 Coffee and biscuits 10:30 Session focused on topic 3 What functionalities are needed in addition to or with fitting (all) Be able to correct for Multiple scattering McStas/Mantid (James Tricker/Spencer) Be able to correct for Absorption (Sanghamitra/Spencer) Other? 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 Session focussed on topic 2
