Shape2SAS: a web application to simulate small-angle scattering data and pair distance distributions from user-defined shapes

Andreas Haahr Larsen*, Emre Brookes, Martin Cramer Pedersen, Jacob Judas Kain Kirkensgaard

*Corresponding author af dette arbejde

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

1 Citationer (Scopus)
16 Downloads (Pure)

Abstract

Shape2SAS 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 Shape2SAS 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 Shape2SAS 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.
OriginalsprogEngelsk
TidsskriftJournal of Applied Crystallography
Vol/bind56
Sider (fra-til)1287-1294
Antal sider8
ISSN0021-8898
DOI
StatusUdgivet - 2023

Bibliografisk note

Publisher Copyright:
© 2023 International Union of Crystallography. All rights reserved.

Citationsformater