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X射线自由电子激光数据处理

Processing of XFEL Data.

作者信息

White Thomas A

机构信息

Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607, Hamburg, Germany.

出版信息

Methods Mol Biol. 2017;1607:325-347. doi: 10.1007/978-1-4939-7000-1_13.

Abstract

The introduction of the X-ray laser to crystallography, and its impact on the types of crystallographic experiments being performed as described in the previous chapter, has meant that new data processing strategies had to be found. While some XFEL crystallography experiments approach the conventional methods quite closely, even those are not without special considerations relating to data processing. Serial femtosecond crystallography (SFX) introduces several additional problems, many of which have been solved recently, and there has been great progress towards resolving the remaining ones. Recent developments into the use of continuous scattering between the Bragg peaks will need even greater changes to the conventional data processing methods. This chapter describes the special characteristics of XFEL data and introduces the range of processing methods which are currently under development.

摘要

将X射线激光引入晶体学,以及它对上一章所述晶体学实验类型的影响,意味着必须找到新的数据处理策略。虽然一些X射线自由电子激光晶体学实验与传统方法非常接近,但即使是这些实验在数据处理方面也有特殊考虑。串行飞秒晶体学(SFX)带来了几个额外的问题,其中许多问题最近已经得到解决,并且在解决其余问题方面取得了很大进展。最近在布拉格峰之间使用连续散射的进展将需要对传统数据处理方法进行更大的改变。本章描述了X射线自由电子激光数据的特殊特性,并介绍了目前正在开发的一系列处理方法。

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