Principles of sustainable scientific software: lessons from developing a data processing program for small-angle neutron scattering

Soloviev A.G., Solovjeva T.M., Ivankov A.I., Islamov A.K., Kuklin A.I.
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The SAS program is the primary data processing tool for the YuMO small-angle neutron scattering spectrometer. The paper presents a retrospective analysis of its two-decade evolution, from a Fortran prototype to a modern software system. The analysis focuses on the architectural decisions that have ensured the program’s long-term viability and its ability to adapt to instrument upgrades.

The core solution was a modular architecture that abstracts the detector system. This enabled the seamless integration of data from two scattering detectors and, later, from a position-sensitive detector. A strict processing pipeline and a unified internal data representation formed the basis for physically grounded algorithms, including weighted merging of spectra, resolution-aware smoothing, and built-in statistical quality control. The program’s interfaces—a command line for batch processing and a graphical user interface for interactive work—are built upon a single computational core, ensuring result consistency and flexibility in use.

Long-term operation has confirmed that the underlying architectural principles naturally align with the key characteristics of international software quality standards, particularly those critical for long-term sustainability. Therefore, the development and evolution of SAS demonstrates a universal set of architectural principles that can serve as a foundation for building sustainable scientific software in related fields of experimental physics.

Keywords: small-angle neutron scattering, YuMO spectrometer, multi-detector system, data processing pipeline, sustainable software, object-oriented architecture, software quality
Citation in English: Soloviev A.G., Solovjeva T.M., Ivankov A.I., Islamov A.K., Kuklin A.I. Principles of sustainable scientific software: lessons from developing a data processing program for small-angle neutron scattering // Computer Research and Modeling, 2026, vol. 18, no. 2, pp. 335-358
Citation in English: Soloviev A.G., Solovjeva T.M., Ivankov A.I., Islamov A.K., Kuklin A.I. Principles of sustainable scientific software: lessons from developing a data processing program for small-angle neutron scattering // Computer Research and Modeling, 2026, vol. 18, no. 2, pp. 335-358
DOI: 10.20537/2076-7633-2026-18-2-335-358
URL: http://crm-en.ics.org.ru/journal/article/3712/
Creative Commons License This work is licensed under a Creative Commons Attribution-NoDerivs 3.0 Unported License.

Copyright © 2026 Soloviev A.G., Solovjeva T.M., Ivankov A.I., Islamov A.K., Kuklin A.I.

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