Larsen Andreas Haahr, Brookes Emre, Pedersen Martin Cramer, Kirkensgaard Jacob Judas Kain
Department of Neuroscience, University of Copenhagen, Copenhagen, Denmark.
University of Montana, Missoula, Montana, USA.
J Appl Crystallogr. 2023 Jul 28;56(Pt 4):1287-1294. doi: 10.1107/S1600576723005848. eCollection 2023 Aug 1.
is a web application that allows researchers and students to build intuition about and understanding of small-angle scattering. It is available at https://somo.chem.utk.edu/shape2sas. The user defines a model of arbitrary shape by combining geometrical subunits, and then calculates and displays the scattering intensity and the pair distance distribution, as well as a visualization of the user-defined shape. Simulated data with realistic noise are also generated. Here, it is demonstrated how can calculate and display the different scattering patterns for various geometrical shapes, such as spheres and cylinders. It is also shown how the effect of structure factors can be visualized. Finally, it is indicated how multi-contrast particles can readily be generated, and how the calculated scattering may be used to validate and visualize analytical models generated in analysis software for fitting small-angle scattering data.
