SESANS Analysis in SasView

The aim of this work package is to add the ability to analyse SESANS data using SasView. The long-term goal is to enable co-analysis of SANS and SESANS data as SESANS can be used (as with USANS) to extend the size range of an experiment into the micron size range.

Code Camp VI Tasks

1. Data format (Adam Washington, Jurrian Bakker and Joachim Kohlbrecher)
   1. Make the format future proof so that more parameters can be added in the header
   2. Allow for extra data columns (that will not be read by sasview, but by other programs)
   3. Updating documentation if needed
2. Validation of the SESANS calculations between sasview, sasfit and analytical expressions (Wim Bouwman)
3. Add as other transformation besides the Hankeltransform also the cosine transform with two aims (Adam Washington and Jurrian Bakker):
   1. Finite acceptance angles (expressed in Q or in theta)
   2. Anisotropic scattering samples
4. Write chapter for PhD thesis on inclusion of SESANS analysis in sasview (Jurrian Bakker)

Code Camp IV Tasks

Expanding on the work completed during Code Camp III, the goals and tasks for ​Code Camp IV are:

1. Confirm Code Camp III work still functions as expected - COMPLETE
   1. Scripting confirmed to work on Windows and Linux
2. Scripting Examples and Backend Requirements
   1. SESANS
      1. Charged Structure Factor - Wim Bouwman - COMPLETE
      2. Fractal - Steve Parnell
      3. Core shell sphere - Adam Washington
   2. 2D Transformation - Jurrian Bakker
   3. Generic script generator for single models - Jeff Krzywon
      1. Function to accepts model name, parameter initial values (if different than defaults), custom parameters, integration/parameter limits - if generic enough, could build the basis for GUI integration - COMPLETE
      2. Generic editable script to load data into function and run bumps - COMPLETE
      3. Documentation and tutorial
3. Testing and Validation - IN PROCESS
4. Scripting documentation and 'tutorial' - Jeff Krzywon
5. Design for GUI Integration
   1. Determine commonalities found in SESANS scripts from 2.a. and integrate into the design
      1. Design: Modify fit window to include a check box indicating the data is SESANS data. If SESANS data is loaded, the box will automatically get checked. If SANS data is loaded, the box wil automatically be unchecked. Once data is loaded, the box will be fixed.
      2. If the data is SESANS, another box will appear below the data box for SESANS analysis. Two options will appear: Transformation and acceptance angle. Both will default to what the data suggests is appropriate, but can be changed by the user.
   2. Use Cases
      1. SESANS fitting through fitting perspective
      2. Simultaneous fitting with SANS and SESANS data
      3. Constrained fitting with SANS and SESANS data
      4. Define Data Transformations
         1. Analytical SESANS Model
         2. Henkel transformation
         3. 2D transformation
      5. Low priority: use with other perspectives
   3. GUI Sketches
6. GUI Coding

Code Camp III Tasks

Work completed during Code Camp III:

1. Data format defined.
2. SESANS 1D data object defined and SESANS data loader created.
3. Henkel transform method created
4. SESANS fitting using the SphereModel with BUMPS in fitting scripts
5. A report of the work done including a short tutorial on using the SphereModel script ​PDF ​HTML

Developers

Wim Bouwman (DUT) Jurrian Bakker (DUT) Andrew Jackson (ESS)