[us-commits] [ehb54/ultrascan3] 0febd2: Add US_Saxs_Util::recompute_errors: standalone I(q...

[emre brookes]

  Branch: refs/heads/ehb54-issue-966
  Home:   https://github.com/ehb54/ultrascan3
  Commit: 0febd2d9418b15f336c31d64e3a6dba485aa3bdb
      https://github.com/ehb54/ultrascan3/commit/0febd2d9418b15f336c31d64e3a6dba485aa3bdb
  Author: ehb54 <brookes at uthscsa.edu>
  Date:   2026-07-13 (Mon, 13 Jul 2026)

  Changed paths:
    M us_somo/develop/include/us_saxs_util.h
    M us_somo/develop/src/us_saxs_util_static.cpp

  Log Message:
  -----------
  Add US_Saxs_Util::recompute_errors: standalone I(q) error reassessment

Reproduces the spirit of BayesApp's error-assessment stage (Larsen &
Pedersen, J. Appl. Cryst. 2021) without a BIFT fit. A local weighted
quadratic smoother of I(q) supplies residuals and an effective DoF
(hat-trace); a reduced chi-square and two-sided chi-square p-value
(clean-room regularized incomplete gamma) drive the same significance +
>10% gate as bift.f. Rescales sigma in three modes: constant, non-constant
(per-bin, triangular-smoothed) and intensity-dependent.

Standalone approximation only: no p(r) model, no Ng, no Dmax. Documented
as such in the header.

Implements ehb54/ultrascan-tickets#966

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



To unsubscribe from these emails, change your notification settings at https://github.com/ehb54/ultrascan3/settings/notifications