The human factor: results of a small-angle scattering data analysis round robin

Pauw, Brian R. and Smales, Glen J. and Anker, Andy S. and Annadurai, Venkatasamy and Balazs, Daniel M. and Bienert, Ralf and Bouwman, Wim G. and Breßler, Ingo and Breternitz, Joachim and Brok, Erik S. and Bryant, Gary and Clulow, Andrew J. and Crater, Erin R. and De Geuser, Frédéric and Giudice, Alessandra Del and Deumer, Jérôme and Disch, Sabrina and Dutt, Shankar and Frank, Kilian and Fratini, Emiliano and Garcia, Paulo R. A. F. and Gilbert, Elliot P. and Hahn, Marc B. and Hallett, James and Hohenschutz, Max and Hollamby, Martin and Huband, Steven and Ilavsky, Jan and Jochum, Johanna K. and Juelsholt, Mikkel and Mansel, Bradley W. and Penttilä, Paavo and Pittkowski, Rebecca K. and Portale, Giuseppe and Pozzo, Lilo D. and Rochels, Leonhard and Rosalie, Julian M. and Saloga, Patrick E. J. and Seibt, Susanne and Smith, Andrew J. and Smith, Gregory N. and Spiering, Glenn A. and Stawski, Tomasz M. and Taché, Olivier and Thünemann, Andreas F. and Toth, Kristof and Whitten, Andrew E. and Wuttke, Joachim (2023) The human factor: results of a small-angle scattering data analysis round robin. Journal of Applied Crystallography, 56 (6 Pt). 1618 -1629. ISSN 00218898

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Abstract

A round-robin study has been carried out to estimate the impact of the human element in small-angle scattering data analysis. Four corrected datasets were provided to participants ready for analysis. All datasets were measured on samples containing spherical scatterers, with two datasets in dilute dispersions and two from powders. Most of the 46 participants correctly identified the number of populations in the dilute dispersions, with half of the population mean entries within 1.5 and half of the population width entries within 40. Due to the added complexity of the structure factor, far fewer people submitted answers on the powder datasets. For those that did, half of the entries for the means and widths were within 44 and 86, respectively. This round-robin experiment highlights several causes for the discrepancies, for which solutions are proposed. © 2023 International Union of Crystallography. All rights reserved.

Item Type:	Article
Additional Information:	Cited by: 2; All Open Access, Gold Open Access, Green Open Access
Uncontrolled Keywords:	Dispersions; Information analysis; Nanostructures; Dilute dispersions; Interlaboratory comparability; Nanostructure quantification; Round Robin; Round robin studies; Scattering data; Small angle scattering; Small-angle scattering; Structure factors; Data handling
Subjects:	C Chemical Science > Chemistry
Divisions:	Department of > Chemistry
Depositing User:	Mr Umendra uom
Date Deposited:	29 Nov 2025 09:58
Last Modified:	29 Nov 2025 09:58
URI:	http://eprints.uni-mysore.ac.in/id/eprint/18095

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