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

Brian R. Pauw*, Glen J. Smales, Andy S. Anker, Venkatasamy Annadurai, Daniel M. Balazs, Ralf Bienert, Wim G. Bouwman, Ingo Breßler, Joachim Breternitz, Erik S. Brok, Gary Bryant, Andrew J. Clulow, Erin R. Crater, Frédéric De Geuser, Alessandra Del Giudice, Jérôme Deumer, Sabrina Disch, Shankar Dutt, Kilian Frank, Emiliano FratiniPaulo R.A.F. Garcia, Elliot P. Gilbert, Marc B. Hahn, James Hallett, Max Hohenschutz, Martin Hollamby, Steven Huband, Jan Ilavsky, Johanna K. Jochum, Mikkel Juelsholt, Bradley W. Mansel, Paavo Penttilä, Rebecca K. Pittkowski, Giuseppe Portale, Lilo D. Pozzo, Leonhard Rochels, Julian M. Rosalie, Patrick E.J. Saloga, Susanne Seibt, Andrew J. Smith, Gregory N. Smith, Glenn A. Spiering, Tomasz M. Stawski, Olivier Taché, Andreas F. Thünemann, Kristof Toth, Andrew E. Whitten, Joachim Wuttke

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

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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.

Original languageEnglish
Pages (from-to)1618-1629
Number of pages12
JournalJournal of Applied Crystallography
Volume56
Issue number6 Pt
DOIs
Publication statusPublished - 1 Dec 2023
MoE publication typeA1 Journal article-refereed

Keywords

  • data analysis
  • interlaboratory comparability
  • nanomaterials
  • nanostructure quantification
  • round robins
  • small-angle scattering

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