Diamond Version 3: Geometry enhancements: Planes, lines and more

Diamond 3 Features Overview...
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Plane objects can now be defined, either by h,k,l and a distance from origin, given as n*d, or through a set of three or more points (atoms). (Least-squares) line objects can be defined in a similar way. The screenshot below shows two least-squares planes, in different colors and with transparency, in the structure picture pane. In the top right pane, you find a table of plane objects and in the properties pane below details about the selected plane, especially the distances of the constituent atoms from the plane and their standard uncertainties.

These plane and line objects can be used for display or for geometric research, or both. Diamond 3 offers the calculation of angles between planes or lines as well as between a plane's normal and a line. Additionally you can calculate the distances of atoms from a plane or line. All results are given with standard uncertainties, if uncertainties are given with the structure data.

The results of geometric measurements and calculations are recorded in the Diamond document and are formatted in the data sheet, together with the other structure parameters. On the left you see a cut-off of the data sheet of data set "ta1215". Not to forget to mention that the measure modes that are already available in version 2 (distances, angles, torsion angles) have been enhanced appropriately and their results are also stored in the data sheet.

Diamond 3 Features Overview...
Previous: Create POV-Ray scenes...
Next: More features and enhancements...