ISIS SANS Training Course

1 Feb 2022, 13:00 → 10 Feb 2022, 15:00 Europe/London

For 2022, in the absence of the annual ISIS Neutron Training Course, the ISIS SANS Group will be running an online training course that will introduce small-angle neutron scattering (SANS), discuss data collection and processing and provide an overview to different types of measurements and data analyses. The course will consist of mixture of webinars given by members of the SANS Group and practical demonstrations of how to best obtain, use and understand SANS data. Participants will have the opportunity to practise data reduction and data analysis themselves using the ISIS IDAaaS cloud computing environment.

The course is aimed at researchers from any area of science or engineering who intend to use or already do use SANS in their research programme, whether based in academia or industry. Priority will be given to applicants from the UK and ISIS partner countries.

Attendees do not need to be experts already, so those with little experience of neutron science or SANS are welcome to attend. The key criterion is that participants should expect to use the SANS instruments at ISIS in their research.

The online course will take place during the weekday afternoons (13:30-17:00 GMT) in the weeks of 1-10 February 2022.

Registration for the course has now closed. The SANS Group are reviewing applications and will inform applicants of their decision in mid-December.

The Online Training Course will cover the following topics.

• Introduction to the SANS technique, how to perform measurements, and designing experiments
• Reducing data, including reduction pipeline and data formats
• Overview of data analysis and software options available
• Advanced data analysis in areas such as biological, ordered, and magnetic systems
• How to prepare proposals and plan for beamtime
• Hands-on experience reducing data and analysing data using the IDAaaS virtual computing environment

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ISIS is part of UKRI, and as an organisation, we make the following commitment to equality, diversity and inclusion.

At UKRI we believe that everyone has a right to be treated with dignity and respect, and to be provided with equal opportunities to flourish and succeed in an environment that enables them to do so. We also value diversity of thought and experience within inclusive groups, organisations and the wider community.

We believe we can inspire, engage with and learn from all our people to maximise the benefits that diversity of thought and experience can provide.

Accessing STFC training resources (PDF)

Timetable (PDF)

Tuesday, 1 February

Webinars: Introduction

1 Introduction to neutron scattering

• Introduction to the course

• Introduction to ISIS SANS Group current staff

• Introduction to Neutron Scattering
  ~ Basics of neutron interactions
  ~ Types of experiments carried out
  ~ Why do we do neutron scattering
  ~ How neutrons are made: spallation and reactor
  ~ Time-of-flight and wavelength distribution

• Introduction to experimental hall and the SANS beamlines

• The future of neutron scattering

Speaker: Dr Sarah Rogers (ISIS Neutron and Muon Source)

14:30 Break

Flash Presentations: Participant Presentations

Two-minute presentations from participants with a single slide (without animation and saved as a PDF).

15:50 Break

Flash Presentations: Participant Presentations

Two-minute presentations from participants with a single slide (without animation and saved as a PDF).

Wednesday, 2 February

Webinars: Small-angle neutron scattering (SANS)

2 Small-angle neutron scattering (SANS) part 1

• SAS from different kinds of radiation (light, electrons, X-rays, neutrons)
• Momentum transfer vector, Q. How to vary Q. Relationship between Q, scattering angle, and real-space distance
• Monochromatic vs time-of-flight SANS.
• Scattering length density (SLD).
• SANS instruments.
• Instrument resolution.
• SANS variants
  ~ Total scattering
  ~ VSANS. USANS.
  ~ SESANS.

Speaker: Gregory Smith (ISIS Neutron and Muon Source)

3 Small-angle neutron scattering (SANS) part 2

• Reducing data
  ~ Going from 2D detector image to normalised 1D data.
  ~ Absolute cross section per unit volume.
  ~ General data correction sequence.
  ~ ISIS data reduction sequence in Mantid.
  ~ Measurements at ISIS to achieve normalised data.

• Understanding data
  ~ Calculating absolute cross section per unit volume.
  ~ Form factors and structure factors.
  ~ Scattering invariant.

Speaker: Gregory Smith (ISIS Neutron and Muon Source)

4 Small-angle neutron scattering (SANS) part 3

• Advantages of using neutrons to study materials.
• Science that can be done with SANS.
• Materials that can be studied with SANS.
• Case studies from ISIS SANS Group.

Speaker: Gregory Smith (ISIS Neutron and Muon Source)

15:00 Break

Demos: Mantid

5 Mantid

• Organising a Batch File after the measurements
• Open Mantid in IDAaaS and Reduce Data
• Show file types
• Manage plots
• Add runs
• Slice wavelength ranges
• Use Algorithms
• Run a Python Script

Speaker: Dr Leide Cavalcanti (ISIS Neutron and Muon Source)

Thursday, 3 February

Webinars: Data Analysis

6 SANS/SAXS Data analysis

• Purpose of data analysis
• Data formats (including content, types, why they matter)
• Options for data analysis
• Model-fitting 101 (incl objectives, priors, optimisers, measures of fit quality)
• SasView collaboration

Speaker: Dr Stephen King (ISIS Neutron and Muon Source)

7 Q&A

Speaker: Dr Stephen King (ISIS Neutron and Muon Source)

14:20 Break

Demos: Using SasView

8 Using SasView

• Where to get SasView
• Tour of the GUI
• Ways to load data (files/projects/analyses, using change name)
• Plotting & plot options
• Fitting
  ~ P(Q) (including resolution smearing)
  ~ 2 column data, 3 column data, 4 column data
  ~ P(Q)*S(Q) (including radius effective & structure factor modes)
  ~ Simultaneous fitting (incl changing optimiser & using a GPU)
  ~ Batch fitting
  ~ 2D data
  ~ Non-neutron data fitting

Speaker: Dr Stephen King (ISIS Neutron and Muon Source)

16:00 Break

Demos: Adding Models to SasView

9 Adding Models to SasView

• Creating models
  ~ Using Add/Multiply to combine 2 existing models
  ~ Combining more than 2 existing models
  ~ Creating a simple function model
  ~ Using an existing model as a template
  ~ Writing a model from scratch

Speaker: Dr Stephen King (ISIS Neutron and Muon Source)

10 Q&A

Speaker: Dr Stephen King (ISIS Neutron and Muon Source)

Friday, 4 February

Advanced measurement and data analysis methods: Webinars and Demos

11 Introduction to SESANS

Speaker: Dr Robert Dalgliesh (ISIS Neutron and Muon Source)

12 Multiple scattering in MuScatt/SASfit

Speaker: Gregory Smith (ISIS Neutron and Muon Source)

13 SASSIE: atomistic modelling

Speakers: Dr James Doutch (ISIS Neutron and Muon Source), Dr Najet Mahmoudi (ISIS Neutron and Muon Source)

15:00 Break

14 Free-Form Modelling

• What is free-form modelling
• McSAS
• FFSAS
• Where free-form modelling is useful

Speaker: Dr Stephen King (ISIS Neutron and Muon Source)

15 McSAS software

Speaker: Dr Stephen King (ISIS Neutron and Muon Source)

16 ffsas software

Speaker: Dr Stephen King (ISIS Neutron and Muon Source)

Monday, 7 February

Webinars: Real-space analysis of SANS data

17 SANS of biological systems

• Contrast variation: isotopic and perdeuteration
• Sample preparation
• Examples of biological complexes
  ~ Dilute protein solutions; globular and IDP in lipid mimics
  ~ Protein complexes
  ~ Protein/nucleotides complexes
  ~ Lipid nanoparticles
• Analysis of biological SANS
  ~ Theory of real-space analysis
  ~ Shape reconstruction
  ~ Atomistic and coarse-grained modelling
  ~ Integrative approaches to solution structure analysis

Speakers: Dr James Doutch (ISIS Neutron and Muon Source), Dr Najet Mahmoudi (ISIS Neutron and Muon Source)

15:00 Break

Demos: Real-space software

18 Real-space software

• Scatter: Guinier plots, Porod volume, Kratky plots, Invariant analysis
• ATSAS: calculation of P(r), DAMMIN and DAMMIF
• MulCH: basis spectra decomposition from contrast-variation series
• p(r) in SasView.

Speakers: Dr James Doutch (ISIS Neutron and Muon Source), Dr Najet Mahmoudi (ISIS Neutron and Muon Source)

Tuesday, 8 February

Webinars: Scattering from magnetic and ordered systems

19 Scattering from ordered and magnetic systems part 1

• Orientational distributions of particles
  ~ Measure the degree of orientational order
  ~ 2D inversion method to analyse anisotropic small-angle scattering
  ~ Revisit structure factor of particle assemblies (Self-assembly, partially ordered arrays of particles, mesocrystals)
• Small-angle diffraction (skyrmions, flux-line lattices)
  ~ Ewald sphere and area detector
  ~ Rocking Scans
  ~ Correlation function analysis (What is in the peak width, instrumental resolution)

Speaker: Dr Dirk Honecker (ISIS Neutron and Muon Source)

20 Scattering from ordered and magnetic systems part 2

• The different kinds of scattering (coherent, incoherent, elastic, inelastic, nuclear spin incoherent)
• Introduction to Neutron Spin, Polarisation and Magnetic Scattering
• Halpern Johnson vector
• Examples

Speaker: Dr Diego Alba Venero (ISIS Neutron and Muon Source)

15:00 Break

Demos: Magnetic/ordered software

21 Mantid

Mantid: reducing data, selecting ROI, normalise runs, compare intensities of different diffraction spots, angular cuts.

Speaker: Dr Diego Alba Venero (ISIS Neutron and Muon Source)

22 SasView

• 2D plotting & options (e.g. sector averaging...)
• 2D fitting (structural data extracting orientational distribution, batch fitting of magnetic field dependent data field)
• Introduction General Scattering Calculator

Speaker: Dr Dirk Honecker (ISIS Neutron and Muon Source)

Wednesday, 9 February

Webinars: Experimental practicalities

23 Experimental practicalities part 1

• Preparing for measurements
  ~ Importance of preliminary information and being prepared.
  ~ Complementary techniques. Simultaneous SAXS and SANS.
  ~ Time scales. Kinetic SANS, histogram and event modes.

• Contrast variation
  ~ Neutron SLDs. Isotopic variation. Isotope effects.
  ~ Deuteration chemistry. Other isotopic labeling.
  ~ Simultaneous data fitting.

Speaker: Gregory Smith (ISIS Neutron and Muon Source)

24 Experimental practicalities part 2

• Things to check during measurements
  ~ Wavelength slicing in ToF SANS.
  ~ Incoherent and inelastic scattering.
  ~ Balancing scattering and attenuation.

• Sample environments
  ~ What kind of samples can be studied.
  ~ Simple sample holders for SANS (cuvettes or no cuvettes, cans). Compare to SAXS (capillaries).
  ~ Simple perturbations.
  ~ Advanced sample environments.

Speaker: Gregory Smith (ISIS Neutron and Muon Source)

15:00 Break

Webinars: How to get beamtime!

25 How to get beamtime!

• How ISIS FAPs work and how to target a proposal for them as an audience.
• Modes of access.
• Discussing experiments with local contacts.
• What to include in a proposal. What makes a good proposal.

Speaker: Dr Robert Dalgliesh (ISIS Neutron and Muon Source)

Thursday, 10 February

Q&A: Feedback and Q&A with SANS Group

Feedback and Q&A with SANS team.