Opened 4 years ago

Last modified 2 months ago

#289 assigned enhancement

Add model for cubic sponge phase

Reported by: ajj Owned by: none
Priority: minor Milestone: SasView Next Release +1
Component: SasView Keywords:
Cc: Work Package: SasModels New Model

Description

Student of Tommy Nylander, Maria Valldeperas, has asked to be able to add a model for her system which is a cubic sponge phase of lipids.

Might be doable with python, but I suspect that some polydispersity will be needed from previous fitting of these systems that Tommy is working on.

Paper attached.

Attachments (5)

SAXS_cubic_lipid.pdf (1.7 MB) - added by ajj 4 years ago.
Eq.1 Porcar et al. L3_Sq.py (1004 bytes) - added by butler 2 months ago.
Original Equation 1
Eq.2_Porcar_et_al. L3 Pq.py (1.1 KB) - added by butler 2 months ago.
Original Equation 2
L3 Sq_1peak_Eq.1 modified.py (713 bytes) - added by butler 2 months ago.
Modified Equation 1 with one peak
L3 Sq_2peaks_Eq.1 modified.py (1.1 KB) - added by butler 2 months ago.
Modified Equation 2 with 2 peaks

Download all attachments as: .zip

Change History (9)

Changed 4 years ago by ajj

comment:1 Changed 4 years ago by butler

  • Work Package changed from SasView Bug Fixing to SasModels New Model

comment:2 Changed 3 months ago by butler

  • Owner changed from ajj to none
  • Status changed from new to assigned

actually Maria worked with me to get SasView 4.2.x (developer versions) to work (is how we found the problems with double loading of math etc). I believe she eventually got this to work and I may have the code that enventually worked. We should ask her and/or Tommy about getting that added?

comment:3 Changed 3 months ago by butler

The reference she used for her model is:

L. Porcar, W.A. Hamilton, P.D. Butler, G.G. Warr; Langmuir 19, 10779-10794 (2003)

Equations 1 for S(Q) and 2 for P(Q).

Last edited 3 months ago by butler (previous) (diff)

comment:4 Changed 2 months ago by butler

Maria Valldeperas implemented this model for her thesis. Attached are the various files she created in the process that can be used as a starting point. The first two are just equation 1 and 2 from the paper listed above (the disk "form factor" and the "structure factor" used to create the sponge).
She then modified equation one to:

since the first part of the equation was not changing much the fitting and I wanted to simplify the model

She also created two versions of this simplified model with a single and a double "broad peak" respectively. We need to figure out which of these we need to/want to implement.

Changed 2 months ago by butler

Original Equation 1

Changed 2 months ago by butler

Original Equation 2

Changed 2 months ago by butler

Modified Equation 1 with one peak

Changed 2 months ago by butler

Modified Equation 2 with 2 peaks

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