3.33. LSQPL: Least-squares planes & lines

plane [a]initiates plane calculation
line[a]initiates line calculation
defineatoms which define a line or a plane
nondefatoms which do not define a line or a plane
sitesite coordinates and estimated standard deviations
Notes:
a. Either a plane or a line must be entered before the define line(s).

LSQPLOptionCodeArg Def

plane1-3fractional coordinates x, y, z of centre of symmetry [a] 
Notes:
a. Fields 1-3 are optional, but plane must be present to initiate a plane calculation.

line1-3fractional coordinates x, y, z of centre of symmetry [a] 
Notes:
a. Fields 1-3 are optional, but line must be present to initiate a line calculation.

define [a]1-atom labels extracted from the bdf, or site labels entered as lines 
Notes:
a. Defining atoms are used in the least-squares plane or line calculations.

nondef [a]1-atom labels extracted from the bdf, or site labels entered as lines 
Notes:
a. Non-defining atoms are used only to calculate the atom-to-plane or -line distances.

site1site label 
 2-4fractional coordinates x, y, z 
 5-7x, y, z