scholarly journals Improvements and considerations for size distribution retrieval from small-angle scattering data by Monte Carlo methods

2013 ◽  
Vol 46 (2) ◽  
pp. 365-371 ◽  
Author(s):  
Brian R. Pauw ◽  
Jan Skov Pedersen ◽  
Samuel Tardif ◽  
Masaki Takata ◽  
Bo B. Iversen

Monte Carlo (MC) methods, based on random updates and the trial-and-error principle, are well suited to retrieve form-free particle size distributions from small-angle scattering patterns of non-interacting low-concentration scatterers such as particles in solution or precipitates in metals. Improvements are presented to existing MC methods, such as a non-ambiguous convergence criterion, nonlinear scaling of contributions to match their observability in a scattering measurement, and a method for estimating the minimum visibility threshold and uncertainties on the resulting size distributions.

2010 ◽  
Vol 34 (3) ◽  
pp. 158-164 ◽  
Author(s):  
Christian Meesters ◽  
Bruno Pairet ◽  
Anja Rabenhorst ◽  
Heinz Decker ◽  
Elmar Jaenicke

2000 ◽  
Vol 78 (6) ◽  
pp. 3240-3251 ◽  
Author(s):  
Paolo Mariani ◽  
Flavio Carsughi ◽  
Francesco Spinozzi ◽  
Sandro Romanzetti ◽  
Gerd Meier ◽  
...  

2017 ◽  
Vol 73 (9) ◽  
pp. 710-728 ◽  
Author(s):  
Jill Trewhella ◽  
Anthony P. Duff ◽  
Dominique Durand ◽  
Frank Gabel ◽  
J. Mitchell Guss ◽  
...  

In 2012, preliminary guidelines were published addressing sample quality, data acquisition and reduction, presentation of scattering data and validation, and modelling for biomolecular small-angle scattering (SAS) experiments. Biomolecular SAS has since continued to grow and authors have increasingly adopted the preliminary guidelines. In parallel, integrative/hybrid determination of biomolecular structures is a rapidly growing field that is expanding the scope of structural biology. For SAS to contribute maximally to this field, it is essential to ensure open access to the information required for evaluation of the quality of SAS samples and data, as well as the validity of SAS-based structural models. To this end, the preliminary guidelines for data presentation in a publication are reviewed and updated, and the deposition of data and associated models in a public archive is recommended. These guidelines and recommendations have been prepared in consultation with the members of the International Union of Crystallography (IUCr) Small-Angle Scattering and Journals Commissions, the Worldwide Protein Data Bank (wwPDB) Small-Angle Scattering Validation Task Force and additional experts in the field.


2002 ◽  
Vol 81 (13) ◽  
pp. 2358-2360 ◽  
Author(s):  
Hiroshi Okuda ◽  
Shojiro Ochiai ◽  
Kazuki Ito ◽  
Yoshiyuki Amemiya

Sign in / Sign up

Export Citation Format

Share Document