Opened 6 years ago
Closed 6 years ago
#1152 closed defect (fixed)
document limits on parameter ranges for Hayter-Penfold structure factor
Reported by: | pkienzle | Owned by: | |
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Priority: | trivial | Milestone: | SasView 4.3.0 |
Component: | SasView | Keywords: | |
Cc: | Work Package: | SasView Bug Fixing |
Description
Setting the charge to 204 in the following parameter set breaks the Hayter_MSA model:
sasview_parameter_values:scale,False,1,0,inf :background,False,0.001,-inf,inf :sld,False,3.5,-inf,inf :sld_solvent,False,6.3,-inf,inf :radius,False,300,0,inf :volfraction,False,0.2,0,0.74 :charge,False,204,0,250 :temperature,False,293,0,450 :concentration_salt,False,0.02,0,inf :dielectconst,False,78,-inf,inf
The docs don't say anything about it.
Change History (4)
comment:1 Changed 6 years ago by pkienzle
comment:2 Changed 6 years ago by richardh
This ticket is perhaps really part of #859.
The Hayter-Penfold rmsa S(Q) has a lot of "instabilities" which may be due to the physical limitations and/or numerical approximations used in generating it. Paul Butler and Richard had some discussions by email with Paul Fitzgerald in Sydney in Feb & March 2017 regarding issues he had seen. Jeff Penfold's view is that this S(Q) should not be pushed too far. For the record, an editied version of the email string is about to be included on #859
comment:3 Changed 6 years ago by smk78
The model docs for hayter_msa now include a specific note about the charge limits, and I have added comments to the source code that reference this ticket and ticket #859. The purpose of this ticket has therefore been met and I am closing it.
comment:4 Changed 6 years ago by smk78
- Resolution set to fixed
- Status changed from new to closed
Note that the default parameter range is limited to 200, so this isn't a problem in practice.