Opened 3 years ago

Last modified 2 years ago

#1009 new enhancement

Add information in fit report about the polydispersity distribution used

Reported by: gonzalezm Owned by: gonzalezm
Priority: minor Milestone: SasView 4.3.0
Component: SasView Keywords:
Cc: Work Package: Reporting Enhancements

Description

When using polydispersity in the fit, the information about the type of distribution selected, and the number of points and sigmas should be given in the fit report.

Change History (4)

comment:1 Changed 3 years ago by butler

  • Milestone changed from SasView 4.2.0 to SasView 4.3.0

comment:2 Changed 2 years ago by pkienzle

sascomp formats polydisperse and magnetic parameters as follows (for cylinder):

scale: 1
background: 0
sld: 6 M0:8.000 mtheta:0.0 mphi:0.0
sld_solvent: 1
radius: 20 ± 4 (9 points in [-3,3] sigma gaussian)
length: 300 ± 60 (10 points in [-3,3] sigma gaussian)
up:frac_i=0.0 up:frac_f=0.0 up:angle=0.0

The code for this is in sasmodels/compare.py in the parlist() and _format_par() functions. This could be used with some mods from the sasview model wrapper.

comment:3 Changed 2 years ago by richardh

Hijacking this ticket slightly, but still relevant …. Why are the fit reports in the format below? Is this related, for convenience of the coding?, to what is in "save project"? Should we in 5.0 simply output screen shots of all the active tabs in the Fit Page? Else should we produce a table that is more easily pulled into a spreadsheet or word processor, as done for batch fits? Has anyone asked our users what they would really like?

File name:richard_test6.txt
Model name:ellipsoid@hardsphere
Q Range: min = 0.001, max = 1.0
Chi2/Npts:7.7548e+08
scale = 6.3816e+06 ± 0.0068054
background = 0 (fixed) cm-1
structure_factor_mode = 1 (fixed)
radius_effective_mode = 0 (fixed)
ellipsoid = (fixed)
sld = 4 (fixed) 10-6/Å2
sld_solvent = 1 (fixed) 10-6/Å2
radius_polar = 20 (fixed) Å
radius_equatorial = 10 (fixed) Å
hardsphere = (fixed)
radius_effective = 13.1353356684 (fixed) Å
volfraction = .3 (fixed)

comment:4 Changed 2 years ago by butler

Short answer is yes and no. I don't believe the basic structure format has changed since the first implementation in the early days of SansView when it was put together as quickly as possible to have *something*? I believe that there has long been discussion that reports need a full rethink (in fact I believe there is an old ticket that says almost exactly that). The only issue has been bandwidth issues and that it has not been viewed as a priority over many of the other bit issues. With 5.0 redoing the GUI completely the reporting has to be rewritten so seems like a good time to rethink to me?

Maybe the best thing would be to start by putting together a figure of how it should look and what information should be included?

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