• PRINSAS 2.0 : a Python-based g...

Treffer: PRINSAS 2.0 : a Python-based graphical user interface tool for fitting polydisperse spherical pore models in small-angle scattering analysis of porous materials.

Title:
PRINSAS 2.0 : a Python-based graphical user interface tool for fitting polydisperse spherical pore models in small-angle scattering analysis of porous materials.
Authors:
Vu PNH; School of Materials Science and Engineering UNSW Sydney Sydney New South Wales2052 Australia., Radlinski AP; WA School of Mines: Minerals, Energy and Chemical Engineering Curtin University Perth Western Australia6102 Australia., Blach T; Queensland Micro Nanotechnology Centre Griffith University Nathan Queensland4111 Australia., Daniels J; School of Materials Science and Engineering UNSW Sydney Sydney New South Wales2052 Australia., Regenauer-Lieb K; WA School of Mines: Minerals, Energy and Chemical Engineering Curtin University Perth Western Australia6102 Australia.
Source:
Journal of applied crystallography [J Appl Crystallogr] 2025 Jul 02; Vol. 58 (Pt 4), pp. 1486-1495. Date of Electronic Publication: 2025 Jul 02 (Print Publication: 2025).
Publication Type:
Journal Article
Language:
English
Journal Info:
Publisher: Wiley Online Library Country of Publication: United States NLM ID: 9876190 Publication Model: eCollection Cited Medium: Print ISSN: 0021-8898 (Print) Linking ISSN: 00218898 NLM ISO Abbreviation: J Appl Crystallogr Subsets: PubMed not MEDLINE
Imprint Name(s):
Publication: [Malden, MA] : Wiley Online Library
Original Publication: Copenhagen, Munksgaard International Booksellers and Publishers.
References:
J Appl Crystallogr. 2021 Mar 18;54(Pt 2):697-706. (PMID: 33953661)
J Appl Crystallogr. 2015 May 22;48(Pt 3):962-969. (PMID: 26089769)
J Appl Crystallogr. 2024 Aug 19;57(Pt 5):1311-1322. (PMID: 39387088)
Annu Rev Biophys Bioeng. 1975;4(00):219-41. (PMID: 1098555)
J Colloid Interface Sci. 2004 Jun 15;274(2):607-12. (PMID: 15144836)
Phys Rev B Condens Matter. 1996 Jun 1;53(21):14152-14160. (PMID: 9983210)
Contributed Indexing:
Keywords: PRINSAS 2.0; data analysis software; polydisperse spherical pore models; porous media; small-angle scattering
Entry Date(s):
Date Created: 20250806 Latest Revision: 20250808
Update Code:
20250808
PubMed Central ID:
PMC12321026
DOI:
10.1107/S1600576725004315
PMID:
40765968
Database:
MEDLINE

Weitere Informationen

Despite the growing use of small- and ultra-small-angle scattering (SAS/USAS) across various fields, data processing remains challenging due to the complexity of SAS analysis and the limited accessibility of existing analysis software. These issues are addressed with PRINSAS 2.0 , a portable Python-based tool with an intuitive graphical user interface. It enables efficient fitting of the polydisperse spherical pore model to SAS data and is specifically designed for porous materials often encountered in geoscience. This paper outlines the scientific and mathematical foundations of the software, along with its numerical implementation, to provide users with theoretical context and to support future development. The software was tested and validated using data from a range of geological and engineered porous samples measured at various neutron scattering facilities, ensuring broad compatibility. Additional validation using synthetic data sets, along with comparisons with existing pore size distribution fitting tools, confirmed its robustness in recovering predefined pore size distributions. PRINSAS 2.0 offers wide accessibility while ensuring that the fit results adhere closely to the underlying theoretical model, making it a practical tool for non-specialist users of SAS techniques. It also integrates seamlessly with larger Python-based SAS analysis frameworks, while remaining fully functional as a standalone application.
(© Phung Nhu Hao Vu et al. 2025.)