L.S.-PLANE

Interactive calculation of least squares planes.

A click on this menu-option brings up an ORTEP drawing with clickable atoms. The molecule can be rotated to a suitable orientation. The red menu item lspl on the right indicates that the program is ready to receive the atom names that will determine the least-squares plane by clicking on the corresponding atom centres. The sequence is ended (and the calculation initiated) by clicking in the End field.

Plane determining atoms may be separated from those for which only the distance to the plane has to be calculated by clicking on the Dist field between the clicks on atoms.

Alternatively, an instruction similar to LSPL c3 c4 c5 DIST c1 could be issued from the keyboard in the PLATON main menu (but after a CALC GEOM).

Atoms are treated with unit-weight by default. Alternatives are weighting based on atomic weights and standard deviations (esd, su). The weighting scheme may be changed using the (UAE)WLSPL button.

GEOMETRY TOOLS

PLATON HOMEPAGE