The human factor: results of a small-angle scattering data analysis round robin
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Published:2023-10-31
Issue:6
Volume:56
Page:1618-1629
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ISSN:1600-5767
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Container-title:Journal of Applied Crystallography
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language:
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Short-container-title:J Appl Cryst
Author:
Pauw Brian R.ORCID, Smales Glen J.ORCID, Anker Andy S.ORCID, Annadurai Venkatasamy, Balazs Daniel M.ORCID, Bienert Ralf, Bouwman Wim G.ORCID, Breßler IngoORCID, Breternitz JoachimORCID, Brok Erik S., Bryant GaryORCID, Clulow Andrew J.ORCID, Crater Erin R., De Geuser FrédéricORCID, Del Giudice AlessandraORCID, Deumer JérômeORCID, Disch SabrinaORCID, Dutt Shankar, Frank KilianORCID, Fratini Emiliano, Garcia Paulo R. A. F., Gilbert Elliot P.ORCID, Hahn Marc B.ORCID, Hallett James, Hohenschutz Max, Hollamby MartinORCID, Huband StevenORCID, Ilavsky JanORCID, Jochum Johanna K.ORCID, Juelsholt MikkelORCID, Mansel Bradley W., Penttilä PaavoORCID, Pittkowski Rebecca K.ORCID, Portale Giuseppe, Pozzo Lilo D., Rochels LeonhardORCID, Rosalie Julian M.ORCID, Saloga Patrick E. J.ORCID, Seibt Susanne, Smith Andrew J.ORCID, Smith Gregory N.ORCID, Spiering Glenn A., Stawski Tomasz M.ORCID, Taché Olivier, Thünemann Andreas F.ORCID, Toth KristofORCID, Whitten Andrew E.ORCID, Wuttke Joachim
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.
Funder
European Metrology Programme for Innovation and Research National Institute of Standards and Technology National Research Council
Publisher
International Union of Crystallography (IUCr)
Subject
General Biochemistry, Genetics and Molecular Biology
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