journal menu
![[Figure 3]](mm0045fig3_combined_mag.jpg)
|
|
Figure 3
The main PolySNAP graphics and text panes selected by tabs at the top of the window. (a) The dendrogram. The horizontal yellow line is the cut line and defines the data clustering. The 26 patterns are partitioned into four clusters containing 12, 6, 6 and 2 patterns, respectively. One yellow box is vertically extended, having been so selected by the user, and the diffraction pattern corresponding to this is displayed in the lower graphics pane. (b) Pie charts when no database of pure forms is present. Each well is assigned a colour based on the clustering produced by the dendrogram. Mixtures are not identified. (c) The pie chart produced when PolySNAP operates in quantitative mode. The relative proportions are shown in the usual pie-chart way. (d) The use of stacks as an alternative to pie charts. (e) The metric multidimensional scaling (MMDS) plot of the data. Each sphere represents a powder pattern and takes the colour assigned by the dendrogram. It is possible to rotate, zoom and pan, remove labels, and adjust foreground and background colours using a graphics toolbar. (f) The equivalent three-dimensional principal-component analysis (PCA) plot. The colour convention matches that of the MMDS method. (g) The scree plot from the PCA analysis, used, in part, to define the number of clusters. (h) A dendrogram with the sample image displayed in the bottom right-hand corner. The image can be toggled on or off as desired. (i) The correlation matrix. Clicking on any entry in the matrix results in the display of the two relevant patterns as in this figure in the bottom graphics pane. (j) An automatically generated report on the calculations, which is stored in rich text format (RTF), which can be imported into most word processors. The figures are automatically generated and inserted in the report. |
![[Figure 3]](mm0045fig3_combined.jpg)
 | JOURNAL OF APPLIED CRYSTALLOGRAPHY |
ISSN: 1600-5767
