LSQPL : Least-squares planes & lines

plane [a] initiates plane calculation
line [a] initiates line calculation
define atoms which define a line or a plane
nondef atoms which do not define a line or a plane
site site coordinates and estimated standard deviations

[a] Either a plane or a line must be entered before the define line(s).

LSQPL Option Code Arg   Def

plane 1-3 fractional coordinates x, y, z of centre of symmetry [a]  

[a] Fields 1-3 are optional, but plane must be present to initiate a plane calculation.

line 1-3 fractional coordinates x, y, z of centre of symmetry [a]  

[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  

[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  

[a] Non-defining atoms are used only to calculate the atom-to-plane or -line distances.

site 1 site label  
  2-4 fractional coordinates x, y, z  
  5-7 \(\sigma \) x, \(\sigma \) y, \(\sigma \) z  


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