[us-commits] [ehb54/ultrascan3] 63746d: extrap_c0: make reciprocal the default concentrati...

emre brookes noreply at github.com
Mon Jul 13 11:35:00 MDT 2026


  Branch: refs/heads/ehb54-issue-920
  Home:   https://github.com/ehb54/ultrascan3
  Commit: 63746d648b7fcf291738a77b1e6b07c85e65db83
      https://github.com/ehb54/ultrascan3/commit/63746d648b7fcf291738a77b1e6b07c85e65db83
  Author: ehb54 <brookes at uthscsa.edu>
  Date:   2026-07-13 (Mon, 13 Jul 2026)

  Changed paths:
    M us_somo/develop/src/us_hydrodyn_saxs_iqq_extrap_c0.cpp
    M us_somo/develop/src/us_hydrodyn_saxs_iqq_extrap_c0_conc.cpp
    M us_somo/somo/doc/manual/somo/somo_saxs_extrap_c0.html

  Log Message:
  -----------
  extrap_c0: make reciprocal the default concentration model

The additive I/c fit reads MW low for interacting series; the reciprocal c/I
(true Zimm form) gives an unbiased MW and a fine profile, so it is the better
default. Additive is kept as an opt-in for work that wants the smoothest low-q
profile over MW accuracy (and is a candidate for later removal); the 2nd-order
virial stays for strongly interacting series. Dialog default, code default, and
manual updated.

Co-Authored-By: Claude Fable 5 <noreply at anthropic.com>



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