HardMatter_Roadmap - SasView/sasview GitHub Wiki

SasView Hard Matter Roadmap

Four areas define the analysis space/scope for hard matter SANS experiments:

  • Analytical modeling of magnetic structures (in Fourier or Q space)
  • Simulation modeling of magnetic structures /micromagnetics (in real space)
  • Diffraction tools and workflows in Fourier space (GRASP/GRIP - and beyond?)
  • Diffraction tools and workflows in Real space (crystallographic tools)

Below we outline known existing gaps in SasView 6.1 that need to be addressed in order for SasView to provide a robust analysis suite for the hard matter and diffraction communities. Note that the colloid and complex fluid soft matter communities share many similar diffraction needs.

Each of the four areas is listed below with the currently identified needs/gaps

I. Analytical modeling of magnetic structures (in Fourier or Q space)

  • Must handle Qz (properly). What about Qz resolution?
  • Fit 1D cuts of anisotropic data
  • Easier separation of magnetic and nuclear scattering models
  • Polarized beam workflows (to be defined)

II. Simulation modeling of magnetic structures /micromagnetics (in real space)

  • ?? Besides current GSC tool capabilities what is needed?

III. Diffraction tools and workflows in Fourier space (GRASP/GRIP - and beyond?)

  • New workflow required (to be defined)
  • Must handle Qz (properly). What about Qz resolution?
  • Slicers need significant extensions and enhancements
  • Data math/manipulations
  • add/sub/mul/div of 2 data sets or 1 data set and one scalar
  • Define how to build more extensive math by easy combination of above.
  • Qx,qy,qz to hkl conversion
  • Parametric plotting
  • Will need metadata and trends currently being worked on.
  • Better/more appropriate/more robust visualization tools
  • Crystal structure tools (to be defined)
  • Debye-waller factor, domain sizes, space group identification, etc
  • TOPAS/GSAS/FULLPROF type functionality?

IV. Diffraction tools and workflows in Real space?(is this relevant to SANS?)

  • Mag2pol, JANA, GSAS II, FULLPROF, SimXRD, SHELX/SHELT, DEBUSSY
  • RMC tools?

NOTE: Here is a DRAFT project list with high level details