Glavic Artur, Björck Matts
Laboratory for Neutron and Muon Instrumentation, Paul Scherrer Institut, 5232 Villigen PSI, Switzerland.
Department of Physics, Uppsala Universitet, Box 530, SE-751 21, Uppsala, Sweden.
J Appl Crystallogr. 2022 Jul 30;55(Pt 4):1063-1071. doi: 10.1107/S1600576722006653. eCollection 2022 Aug 1.
Since its publication more than 15 years ago the software has been continuously developed and has established itself as a standard package for analyzing X-ray and neutron reflectometry data. The evolution of the software during the last two major revisions is reported here. This includes a simplified model builder for beginners, simple samples, additional sample models, statistical error analysis and the use of just-in-time compilation modules for the reflectometry kernel to achieve higher performance. In addition, the influence of experimental errors on the reflectivity curve is discussed, and new features are described that allow the user to include these in the error statistics to improve the fitting and uncertainty estimation.
自15年多前发布以来，该软件一直在持续开发，并已成为分析X射线和中子反射测量数据的标准软件包。本文报道了该软件在过去两次主要修订期间的演变情况。这包括为初学者简化的模型构建器、简单样品、额外的样品模型、统计误差分析以及使用即时编译模块来优化反射测量内核以实现更高性能。此外，还讨论了实验误差对反射率曲线的影响，并介绍了新功能，这些功能允许用户将实验误差纳入误差统计，以改进拟合和不确定性估计。
