Two-dimensional detector software: From real detector to idealised image or two-theta scan

IF 1.2 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY
A. Hammersley, S. O. Svensson, M. Hanfland, A. Fitch, D. Hausermann
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引用次数: 4235

Abstract

Abstract Detector systems introduce distortions into acquired data. To obtain accurate angle and intensity information, it is necessary to calibrate, and apply corrections. Intensity non-linearity, spatial distortion, and non-uniformity of intensity response, are the primary considerations. It is better to account for the distortions within scientific analysis software, but often it is more practical to correct the distortions to produce ‘idealised’ data. Calibration methods and software have been developed for single crystal diffraction experiments, using both approaches. For powder diffraction experiments the additional task of converting a two-dimensional image to a one-dimensional spectrum is used to allow Rietveld analysis. This task may be combined with distortion correction to produce intensity information and error estimates. High-pressure experiments can introduce additional complications and place new demands on software. Flexibility is needed to be able to integrate different angular regions se...
二维探测器软件:从真实探测器到理想图像或二次扫描
探测器系统会对采集到的数据造成扭曲。为了获得准确的角度和强度信息,有必要进行校准和校正。强度非线性、空间畸变和强度响应的非均匀性是主要的考虑因素。最好是在科学分析软件中解释这些扭曲,但通常更实际的做法是纠正这些扭曲,以产生“理想化”的数据。利用这两种方法开发了用于单晶衍射实验的校准方法和软件。对于粉末衍射实验,将二维图像转换为一维光谱的附加任务用于允许里特费尔德分析。该任务可与畸变校正相结合,以产生强度信息和误差估计。高压实验可能会引入额外的复杂性,并对软件提出新的要求。需要灵活性,以便能够整合不同的角度区域。
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来源期刊
High Pressure Research
High Pressure Research 物理-物理:综合
CiteScore
3.80
自引率
5.00%
发文量
15
审稿时长
2 months
期刊介绍: High Pressure Research is the leading journal for research in high pressure science and technology. The journal publishes original full-length papers and short research reports of new developments, as well as timely review articles. It provides an important forum for the presentation of experimental and theoretical advances in high pressure science in subjects such as: condensed matter physics and chemistry geophysics and planetary physics synthesis of new materials chemical kinetics under high pressure industrial applications shockwaves in condensed matter instrumentation and techniques the application of pressure to food / biomaterials Theoretical papers of exceptionally high quality are also accepted.
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