view article
Figure 7
(a) Dendogram of the hierarchical cluster analysis of the preliminary unit cells determined by XDS using an Euclidean distance for the ZSM-5 and mordenite mixed-phase sample. Two clusters are circled. The unit cells in the larger black clusters correspond to ZSM-5, whereas the smaller yellow cluster corresponds to mordenite. This may also be an indication that there are more ZSM-5 crystals than mordenite in the sample. (b) Histogram of the lattice parameters determined by XDS. The histograms corresponding to the a, b and c parameters clearly show two peaks that correspond to the two phases. (c) Dendrogram of the reflection-based cluster analysis for the datasets with the ZSM-5 lattice. A cut threshold of 0.38 (corresponding to CCI = 0.92) leads to eight clusters. The largest cluster (green), composed of seven datasets, yielded the combination of the highest data completeness and data consistency (as judged by CC1/2) and was used for structure determination. (d) Dendrogram of the reflection-based cluster analysis for the datasets corresponding to the mordenite lattice. A cut-threshold of 0.2 (CCI = 0.98) was used to generate two clusters. The red cluster was chosen for structure determination since it has higher data completeness and lower Rmeas (0.13).

IUCrJ
Volume 6| Part 5| September 2019| Pages 854-867
ISSN: 2052-2525
https://doi.org/10.1107/S2052252519007681