A new software package, autoPX, for processing X-ray diffraction data from biomacromolecular crystals is reported. This processing software package is designed on the basis of novel methods such as the location of diffraction spots by an improved Canny operator, indexing by a modified Fourier transform, a novel definition of mosaicity that expresses the dispersion state of reciprocal diffraction spots, and the correction of predicted diffraction spot coordinates by homography transform. New programming of some traditional algorithms necessary for integration and scaling is also included. Several examples of crystal structure determination using data from the SSRF beamlines reduced using autoPX, HKL-2000, DIALS and XDS are also demonstrated, and indicate that autoPX is capable of processing diffraction data from biomacromolecular crystals and providing adequate solutions to problems encountered at the SSRF beamlines.

中文翻译：

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AutoPX：用于处理来自生物大分子晶体的 X 射线衍射数据的新软件包

报道了一种用于处理来自生物大分子晶体的 X 射线衍射数据的新软件包autoPX 。该处理软件包是基于改进的 Canny 算子定位衍射点、改进的傅里叶变换索引、表示互易衍射点色散状态的镶嵌性的新定义以及校正等新方法设计的。通过单应变换预测衍射点坐标。还包括集成和扩展所需的一些传统算法的新编程。使用autoPX、HKL -2000、DIAS和XDS减少的 SSRF 光束线数据确定晶体结构的几个示例也被证明，并表明autoPX能够处理来自生物大分子晶体的衍射数据，并为 SSRF 光束线遇到的问题提供足够的解决方案。