Buts Lieven, Dao-Thi Minh-Hoa, Wyns Lode, Loris Remy
Department of Ultrastructure, Vlaams Interuniversitair Instituut voor Biotechnologie, Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussel, Belgium.
Acta Crystallogr D Biol Crystallogr. 2004 May;60(Pt 5):983-4. doi: 10.1107/S0907444904007048. Epub 2004 Apr 21.
Standard crystallographic data-processing protocols are based on single-crystal models; data from aggregates of multiple crystals with different orientations are difficult to process. In certain cases, it is possible to separately index the diffraction patterns from the dominant crystals in the aggregate. Untangle is a program designed to identify and eliminate overlapping spots from such patterns in order to improve data quality. The program has a Python core with a simple and highly portable graphical user interface, permitting visual verification of the process and interactive modification of the overlap threshold. The software is available under an open-source license.
标准的晶体学数据处理协议基于单晶模型;来自具有不同取向的多个晶体聚集体的数据难以处理。在某些情况下,可以分别对聚集体中主要晶体的衍射图案进行索引。Untangle是一个旨在识别并消除此类图案中重叠斑点以提高数据质量的程序。该程序有一个Python核心以及一个简单且高度可移植的图形用户界面,允许对过程进行可视化验证以及对重叠阈值进行交互式修改。该软件以开源许可方式提供。