<i>Irena</i>: tool suite for modeling and analysis of small-angle scattering

TLDR

Irena is a comprehensive SAS analysis suite integrated into Igor Pro, supporting X‑ray and neutron data for materials science, physics, chemistry, polymer science, and related fields. It combines Guinier, Porod, maximum‑entropy size‑distribution, multi‑population, pair‑distance, unified fit, Debye–Bueche, reflectivity, and diffraction analyses with support tools for data import/export, modification, graphics, contrast calculation, and automated parameter recording, all through a unified interface.

Abstract

Irena , a tool suite for analysis of both X-ray and neutron small-angle scattering (SAS) data within the commercial Igor Pro application, brings together a comprehensive suite of tools useful for investigations in materials science, physics, chemistry, polymer science and other fields. In addition to Guinier and Porod fits, the suite combines a variety of advanced SAS data evaluation tools for the modeling of size distribution in the dilute limit using maximum entropy and other methods, dilute limit small-angle scattering from multiple non-interacting populations of scatterers, the pair-distance distribution function, a unified fit, the Debye–Bueche model, the reflectivity (X-ray and neutron) using Parratt's formalism, and small-angle diffraction. There are also a number of support tools, such as a data import/export tool supporting a broad sampling of common data formats, a data modification tool, a presentation-quality graphics tool optimized for small-angle scattering data, and a neutron and X-ray scattering contrast calculator. These tools are brought together into one suite with consistent interfaces and functionality. The suite allows robust automated note recording and saving of parameters during export.