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.
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.
Originalsprog | Engelsk |
---|---|
Tidsskrift | Journal of Applied Crystallography |
Vol/bind | 56 |
Sider (fra-til) | 1287-1294 |
Antal sider | 8 |
ISSN | 0021-8898 |
DOI | |
Status | Udgivet - 2023 |
Bibliografisk note
Publisher Copyright:© 2023 International Union of Crystallography. All rights reserved.