English

Optimal Binning for Small-Angle Neutron Scattering Data Using the Freedman-Diaconis Rule

Data Analysis, Statistics and Probability 2025-10-29 v2 Applied Physics Instrumentation and Detectors

Abstract

Small-Angle Neutron Scattering (SANS) data analysis often relies on fixed-width binning schemes that overlook variations in signal strength and structural complexity. We introduce a statistically grounded approach based on the Freedman-Diaconis (FD) rule, which minimizes the mean integrated squared error between the histogram estimate and the true intensity distribution. By deriving the competing scaling relations for counting noise (h1\propto h^{-1}) and binning distortion (h2\propto h^{2}), we establish an optimal bin width that balances statistical precision and structural resolution. Application to synthetic data from the Debye scattering function of a Gaussian polymer chain demonstrates that the FD criterion quantitatively determines the most efficient binning, faithfully reproducing the curvature of I(Q)I(Q) while minimizing random error. The optimal width follows the expected scaling hoptNtotal1/3h_{\mathrm{opt}} \propto N_{\mathrm{total}}^{-1/3}, delineating the transition between noise- and resolution-limited regimes. This framework provides a unified, physics-informed basis for adaptive, statistically efficient binning in neutron scattering experiments.

Keywords

Cite

@article{arxiv.2510.09581,
  title  = {Optimal Binning for Small-Angle Neutron Scattering Data Using the Freedman-Diaconis Rule},
  author = {Jessie E. An and Chi-Huan Tung and Changwoo Do and Wei-Ren Chen},
  journal= {arXiv preprint arXiv:2510.09581},
  year   = {2025}
}

Comments

5 pages, 2 figures

R2 v1 2026-07-01T06:29:48.382Z