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Indexing Program for Crystalline Polymer Fiber Patterns Based on Dichotomy Method
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DOI：10.11777/j.issn1000-3304.2025.25264.png)
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Abstract
En 中文
Indexing, the process of deriving unit cell parameters from unknown diffraction patterns, is a crucial step in crystal structure determination. However, the crystallization behavior of polymers makes it difficult to accomplish crystal structure analysis, including indexing, using fully automated software. To address this issue,we developed an automated Python-based program for indexing polymer fiber diffraction patterns using the dichotomy method as the core algorithm. With simple parameter inputs, the program enables the rapid indexing of orthorhombic and monoclinic polymer systems. To validate its reliability and efficiency, the program was tested on several polymers with known unit-cell parameters. The results demonstrate excellent accuracy and rapid computational performance, indicating their suitability for practical applications
Keywords:
Polymer crystal
Crystal structure
Indexing
Dichotomy
Fiber pattern
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