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Figure 9
Example uses of the CIF output macros. (a) Out_pdCIF: (i) Simple, single diffraction pattern refinement with one crystal structure of interest and an impurity. (ii) Fitting data from two different synthesis methods, with each containing a different number of structures. (iii) Sequential refinement of in situ diffraction data. (b) Out_pdCIF_multi: (i) Combined refinement of two crystal structures using X-ray and neutron data. (ii) Sequential refinement of in situ diffraction data with two crystal structures across three diffraction patterns.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 55| Part 3| June 2022| Pages 631-637
https://doi.org/10.1107/S1600576722003478
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