对成对分布函数拟合中标准不确定度的测定。
Determination of standard uncertainties in fits to pair distribution functions.
作者信息
Toby Brian H, Billinge Simon J L
机构信息
NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20899-8562, USA.
出版信息
Acta Crystallogr A. 2004 Jul;60(Pt 4):315-7. doi: 10.1107/S0108767304011754. Epub 2004 Jun 24.
PMID:15218209
Abstract
Methods are developed to establish the limits of statistical uncertainty for values computed from a pair distribution function (PDF) or models fit to a PDF. This is done by computation of a variance-covariance matrix for the PDF from the uncertainties in the diffraction intensities. The application of this variance-covariance matrix also offers optimal weighting for least-squares refinement.
摘要
已开发出一些方法来确定从对分布函数（PDF）计算得到的值或拟合到PDF的模型的统计不确定性极限。这是通过根据衍射强度的不确定性计算PDF的方差 - 协方差矩阵来实现的。该方差 - 协方差矩阵的应用还为最小二乘精修提供了最佳加权。
Zotero 插件