Poisson errors and adaptive rebinning in X-ray powder diffraction data

被引:1
|
作者
Mendenhall, Marcus H. [1 ]
机构
[1] NIST, 100 Bur Dr, Gaithersburg, MD 20899 USA
关键词
powder diffraction; poisson statistics; adaptive rebinning; FUNDAMENTAL PARAMETERS APPROACH;
D O I
10.1017/S0885715618000726
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
This work provides a short summary of techniques for formally-correct handling of statistical uncertainties in Poisson-statistics dominated data, with emphasis on X-ray powder diffraction patterns. Correct assignment of uncertainties for low counts is documented. Further, we describe a technique for adaptively rebinning such data sets to provide more uniform statistics across a pattern with a wide range of count rates, from a few (or no) counts in a background bin to on-peak regions with many counts. This permits better plotting of data and analysis of a smaller number of points in a fitting package. without significant degradation of the information content of the data set. Examples of the effect of this on a diffraction data set are given. (C) 2018 International Centre for Diffraction Data. This is a work of the U.S. Government and is not subject to copyright protection in the United States.
引用
收藏
页码:266 / 269
页数:4
相关论文
共 50 条
  • [1] Synchrotron X-ray powder diffraction data of atorvastatin
    Antonio, Selma Gutierrez
    Benini, Fernanda Ribeiro
    Ferreira, Fabio Furlan
    Pires Rosa, Paulo Cesar
    Paiva-Santos, Carlos de Oliveira
    POWDER DIFFRACTION, 2008, 23 (04) : 350 - 355
  • [2] Femtosecond X-ray powder diffraction
    Woerner, Michael
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2015, 71 : S150 - S150
  • [3] Structure determination from X-ray powder diffraction data at low resolution
    Xu, H.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2014, 70 : C143 - C143
  • [4] The limits to the determination of crystal structure from powder X-ray diffraction data
    Solans, X
    ANALES DE QUIMICA-INTERNATIONAL EDITION, 1998, 94 (06): : 406 - 409
  • [5] Crystal structure from X-ray powder diffraction data with Z′=2
    Das, Uday
    Mukherjee, Alok K.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2011, 67 : C272 - C272
  • [6] X-ray powder diffraction analysis of methionine sulfoxide
    Corbi, PP
    Melnikov, P
    Massabni, AC
    POWDER DIFFRACTION, 2001, 16 (03) : 163 - 164
  • [7] X-ray powder diffraction study of leucite crystallisation
    Novotna, M.
    Maixner, J.
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 2006, : 455 - 459
  • [8] X-ray powder diffraction for charge density studies
    Als-Nielsen, J.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2014, 70 : C1339 - C1339
  • [9] Computer simulation of X-ray powder diffraction pattern
    Nie, JJ
    Han, F
    Xu, DJ
    CHINESE JOURNAL OF ANALYTICAL CHEMISTRY, 2001, 29 (01) : 80 - 82
  • [10] The First X-ray Powder Diffraction Measurements on Mars
    Bish, D.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2014, 70 : C4 - C4