Automated diffraction image analysis and spot searching for high-throughput crystal screening

Automated diffraction image analysis and spot searching for high-throughput crystal screening
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用于高通量晶体筛选的自动衍射图像分析和点搜索

DOI:
10.1107/s0021889805040677
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发表时间:
2006
影响因子:
6.1
通讯作者:
A. Deacon
A. Deacon
中科院分区:
材料科学3区
文献类型:
--
作者:
Zepu Zhang;N. Sauter;H. V. D. Bedem;G. Snell;A. Deacon

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介绍了一种用于快速分析大分子晶体x射线衍射图的软件DISTL(衍射图像筛选工具和库)。在几秒钟内,该程序就能表征布拉格斑的强度和质量,确定图像的极限分辨率,并识别有害特征,如冰环和强烈的盐反射。该过程还为自动索引生成一组可靠的强度峰值。快速分类大量晶体的能力将在同步加速器和家庭实验室x射线源中特别有用,其中已经实施了自动晶体筛选和数据收集系统。
A new software package, DISTL (Diffraction Image Screening Tool and Library), for the rapid analysis of X-ray diffraction patterns collected from macromolecular crystals is presented. Within seconds, the program characterizes the strength and quality of the Bragg spots, determines the limiting resolution of the image, and identifies deleterious features such as ice-rings and intense salt reflections. The procedure also generates a reliable set of intense peaks for auto-indexing. The ability to classify a large number of crystals quickly will be especially useful at synchrotron and home-laboratory X-ray sources where automated crystal screening and data collection systems have been implemented.
DOI: 10.1107/s0021889802016709
发表时间: 2002-12-01
影响因子: 6.1
作者:
Cohen, AE;Ellis, PJ;Phizackerley, RP
通讯作者: Phizackerley, RP