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Figure 2
How modelling of twinning affects the weighted agreement factor. Compare with Tables 1[link] and 2[link]. The blue bars show the weighted agreement prior to modelling of twinning. The orange bars show the weighted agreement factor after twinning was taken into account. Taking twinning into account reduces the weighted agreement factor in all cases, with the exception of structure IV. The green bars show the weighted agreement factor in the absence of systematic errors. The difference between the orange and green bars is the agreement factor gap. The gap is sometimes comparable to the difference between the blue and orange bars and sometimes even larger, as for structure I. The values for the agreement factors are taken from the literature (Müller, 2006BB28) and the predicted agreement factor was calculated from the data provided therein.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 4| August 2025| Pages 1174-1184
https://doi.org/10.1107/S1600576725004376
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