12.2 Viewing Observation Distance Matrix

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[Picture]
Figure 12.6: View of the Distance Matrix with table of statistics

There are many ways of finding relevant subsets of the data presented in an Observation Distance Matrix. You can zoom into a selected area of the graph. You can open a zoomed subset in a new spreadsheet or tree and you can narrow the Distance range.

12.2.1 Viewing Spreadsheets or Trees of Subsets

based on the setting in the pull down menu in the lower right corner (Fig. 12.5) you can left-click and drag to view compounds or create a spreadsheet or a tree of a subset of the data.
If “Left click and drag for compounds” is selected, you can open up a viewer of the compounds residing in the clicked and dragged delineated region. For instance, the dark blue spot one third of the way up the plot has planar hydrocarbon ring systems, shown in Fig. 12.7.

[Picture]
Figure 12.7: Area of the Distance Matrix showing planar hydrocarbon ring systems

Whereas another region halfway up the plot has a different class of compounds, which all share a triangular epoxide ring (Fig. 12.8):

[Picture]
Figure 12.8: Area of Distance Matrix with a triangular epoxide ring

By selecting the Left click and drag for spreadsheet and delineating a rectangle in the upper right of the matrix (Fig. 12.6), the spreadsheet in Figure 12.9 is produced.

[Picture]
Figure 12.9: Spreadsheet defined in the diagonal area in previous figure

By selecting the Left click and drag for tree and delineating a rectangle in the upper right of the plot (Fig. 12.6), the tree in Figure 12.10 is produced.

You can do further recursive analysis on this node.

[Picture]
Figure 12.10: Tree view of the area delineated by the left click and drag

12.2.2 Zooming-In on a Subset of the Distance Matrix Plot

[Picture]
Figure 12.11: Distance Matrix with horizontal rectangle delineating area to be zoomed-in

If you drag a rectangle with the right button of the mouse and release, the graph is redrawn zooming-in on just that subset of data. In Fig. 12.11 shows the area selected just the center of the matrix plot.

[Picture]
Figure 12.12: The Matrix plot showing the result of the recalculation of the zoom-in of the prior plot

If it turns out you do not need the data on the current zoom (tab), you can use the “X” on the lower-right corner of the viewer to delete the zoom, both from the view and from the project itself. (If you do not save the project changes, the action of such a deletion will not be saved and the zoom will be retained.)

12.2.3 Narrowing the Distance Range

[Picture]
Figure 12.13: The two vertical lines on the top Distance color range show the area to be narrowed

Both axes of the Distance Matrix plot have a color coded range. If you wish to delineate a subset of the range, you can click and drag from a point on the low end of the range to a point on the high end. In Fig. 12.13 the vertical lines show an area from about 0.20 to about 0.79 to be narrowed down.

[Picture]
Figure 12.14: This is the plot redrawn to the narrowed range.

Either axis can be changed to a value other than Distance. In Fig. 12.15 the value is set to the dependent value Y. Once the response is plotted, you can look for regions where the average response is colored in the range you are looking for.

[Picture]
Figure 12.15: Drop down menu showing lower axis changing from Distance to a response variable Y

12.2.4 Menus

There are also some menus that allow you to save or print the results.

Here is what the menus do:


Menu Steps Does This
File->Create Bitmap Allow you to save an image of the Observation Distance Matrix as a BMP file with out all the controls on the dialog.
File->Print Image Lets you print the entire dialog with out the clutter of the buttons and controls..
File->Close Closes the Matrix dialog.
Save Obs. Distance. . . Saves a comma delimited file (CSV) for use in other programs.
Close Closes the dialog.

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