Estimating intensity errors of powder diffraction data from area detectors

Citation
M. Chall et al., Estimating intensity errors of powder diffraction data from area detectors, HIGH PR RES, 17(3-6), 2000, pp. 315-323
Citations number
5
Categorie Soggetti
Physics
Journal title
HIGH PRESSURE RESEARCH
ISSN journal
08957959 → ACNP
Volume
17
Issue
3-6
Year of publication
2000
Pages
315 - 323
Database
ISI
SICI code
0895-7959(2000)17:3-6<315:EIEOPD>2.0.ZU;2-C
Abstract
It is shown how error estimates for intensities derived from area detector data in powder diffraction experiments should be calculated. It is demonstr ated that the uncritical application of standard weighting schemes to the d erived one dimensional data in subsequent least-squares refinements results in meaningless goodness of fit values less than unity that prohibit the ev aluation of the quality of the fit. Moreover, it is shown that the calculat ed estimated standard deviations of the fitted parameters can only be calcu lated correctly when the true uncertainties of the measured intensities are known.