QENS Fitting Workshop: Advancing Tools and Strategies
undefined
Intro: QENS fitting
workshop
A SINE2020 workshop
Anders Markvardsen
ISIS, 11-12
th
Sep, 2017
Audience + fire exit
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
•
Monday
•
•
12:00 Lunch (served in the conference room)
•
13:00 Welcome (Anders and Thomas 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
•
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
•
•
Monday Evening
•
•
18:30 Dinner at a traditional English pub
Agenda will go on ISIS/STFC web
And teleconference participants
Tuesday
•
•
Tuesday Morning
•
•
9:00 Session focussed on topic 2
•
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
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.
Download Presentation
Please find below an Image/Link to download the presentation.
The content on the website is provided AS IS for your information and personal use only. It may not be sold, licensed, or shared on other websites without obtaining consent from the author. Download presentation by click this link. If you encounter any issues during the download, it is possible that the publisher has removed the file from their server.
E N D
Presentation Transcript
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
