view article
Figure 4
How modelling of aspherical electron density affects the weighted agreement factor. Compare with Table 4[link]. The blue bars show the weighted agreement for the spherical independent atom model (IAM). The orange bars show the weighted agreement factor after taking aspherical effects into account. The weighted agreement factors decrease in all cases. 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 values for the agreement factors are taken from the literature [see Chodkiewicz et al. (2024BB7) and references cited therein]. The predicted agreement factor was calculated from the published data.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 4| August 2025| Pages 1174-1184
https://doi.org/10.1107/S1600576725004376
Follow J. Appl. Cryst.
Sign up for e-alerts
E-alerts
Follow J. Appl. Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS