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

https://aaltodoc.aalto.fi/handle/123456789/126549

http://www.urn.fi/URN:NBN:fi:aalto-202401312216

Artikkeli

Pauw, Brian R. ; Smales, Glen J. ; Anker, Andy S. ; Annadurai, Venkatasamy ; Balazs, Daniel M. ; Bienert, Ralf ; Bouwman, Wim G. ; Breßler, Ingo ; Breternitz, Joachim ; Brok, Erik S. ; Bryant, Gary ; Clulow, Andrew J. ; Crater, Erin R. ; De Geuser, Frédéric ; Giudice, Alessandra Del ; Deumer, Jérôme ; Disch, Sabrina ; Dutt, Shankar ; Frank, Kilian ; Fratini, Emiliano ; Garcia, Paulo R.A.F ; Gilbert, Elliot P. ; Hahn, Marc B. ; Hallett, James ; Hohenschutz, Max ; Hollamby, Martin ; Huband, Steven ; Ilavsky, Jan ; Jochum, Johanna K. ; Juelsholt, Mikkel ; Mansel, Bradley W. ; Penttilä, Paavo ; Pittkowski, Rebecca K. ; Portale, Giuseppe ; Pozzo, Lilo D. ; Rochels, Leonhard ; Rosalie, Julian M. ; Saloga, Patrick E.J ; Seibt, Susanne ; Smith, Andrew J. ; Smith, Gregory N. ; Spiering, Glenn A. ; Stawski, Tomasz M. ; Taché, Olivier ; Thünemann, Andreas F. ; Toth, Kristof ; Whitten, Andrew E. ; Wuttke, Joachim ; Department of Bioproducts and Biosystems ; Wood Material Science ; Federal Institute for Materials Research and Testing ; University of Copenhagen ; University of Mysore ; Institute of Science and Technology Austria ; Delft University of Technology ; Helmholtz Centre Berlin for Materials and Energy ; FORCE Technology ; RMIT University ; Australian Synchrotron ; Virginia Polytechnic Institute and State University ; Université Grenoble Alpes ; Sapienza University of Rome ; Physikalisch-Technische Bundesanstalt ; University of Cologne ; Australian National University ; Ludwig Maximilian University of Munich ; University of Florence ; Brazilian Synchrotron Light Laboratory ; Australian Nuclear Science and Technology Organisation ; University of Reading ; RWTH Aachen University ; Keele University ; University of Warwick ; Argonne National Laboratory ; Technical University of Munich ; University of Oxford ; National Synchrotron Radiation Research Center ; University of Groningen ; University of Washington ; Independent Researcher, Germany ; Diamond Light Source Ltd ; Rutherford Appleton Laboratory ; Université Paris-Saclay ; National Institute of Standards and Technology NIST ; Forschungszentrum Jülich ; Aalto-yliopisto ; Aalto University

International Union of Crystallography 2023

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.

Tallennettuna:

Kieli

englanti

Sarja

Journal of Applied Crystallography

Aiheet

data analysis