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Figure 1
`Rietveld plot' showing the lack of agreement between observed powder diffraction data and those computed from a less than ideal crystal structure model. (a) Observed pattern shown with blue plus signs with the computed pattern superimposed as a green line. The lower cyan curve shows the difference between the observed and computed patterns. The red line shows the fitted background and the blue vertical lines show the reflection positions. (b) Similar plot, but the cyan curve shown with a separate vertical axis provides the difference between the observed and computed values divided by the standard uncertainty. A clearer view of the impact of these differences on the overall fit is seen in (b).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 57| Part 1| February 2024| Pages 175-180
https://doi.org/10.1107/S1600576723011032
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