Software for small-angle neutron scattering contrast variation experiment planning and data analysis

Contrast variation (CV) small-angle neutron scattering (SANS) enables the determination of structural parameters from individual components in multi-component biological complexes in solution. Researchers can selectively highlight different parts of a multi-component system by varying the contrast between the components, typically through adjusting the deuteration level of solvents or specific molecular constituents. While this approach provides unique insights into component shapes, spatial arrangements and interactions, SANS CV experiments require substantial resources, specialized facilities and, often, a steep learning curve. To address these challenges and improve the likelihood of a successful experiment, a new contrast software suite has been developed within the SASSIE-web framework, allowing researchers to plan and simulate experiments in silico, integrate structural modeling, and streamline both experiment design and CV data analysis into a unified platform.