Crystallographic Area Detector Software

该SBIR第一阶段奖提供资金开发一个软件 高分子衍射数据处理软件包 从电子位置敏感区域探测器， 高通量储存环X射线数据的特殊应用 源 现有的软件包要么面向 来自常规实验室X射线源的数据或已被 在有限数量的地点进行测试。 建议者的XENGEN 软件包已得到广泛使用和测试， 易于适应高通量存储环环境。 的 研究涉及扩展此软件包，使其能够处理 更多种类的晶体学数据， 特别是它在储存环中的应用 数据 现有软件的扩展必须允许它 处理新的统计对象类别， 实验条件的类型。 研究工作将 包括分析这些新的背景， 新的软件，并在传统的测试软件， 背景和来自储存环的探测器的数据。 的 结果将是一个能够处理衍射的软件包 来自常规X射线源和储存环的数据， 用于单色或多波长模式; 可使用该软件的区域检测器包括 多线正比计数器，SIT管电视探测器， 和电荷耦合器件检测器。 Genex打算授权 并将软件分发给实验室和区域 在美国和国外的设施。

This SBIR Phase I award provides funds to develop a software package for the processing of macromolecular diffraction data from electronic position-sensitive area detectors, with particular application to data from high-flux storage ring x-ray sources. Existing packages of software are either geared toward data from conventional laboratory x-ray sources or have been tested in a limited number of sites. The proposers' XENGEN software package has been widely used and tested and could be readily adapted to the high-flux, storage ring context. The research involves extending this package to allow it to handle more kinds of crystallographic data than it can currently handle, with particular attention to its application to storage-ring data. The extensions of the existing software must allow it to deal with new classes of statistical objects and with different types of experimental conditions. The research effort will consist of analyzing those new contexts, writing and documenting the new software, and testing the software in conventional contexts and with data from detectors at storage rings. The result will be a software package capable of handling diffraction data from conventional x-ray sources and from storage rings when used in monochromatic or multiple-wavelength modes; the types of area detectors for which the software could be used include multiwire proportional counters, SIT tube television detectors, and charge coupled device detectors. Genex intends to license and distribute the software to laboratories and regional facilities in the United States and abroad.