Re: Planar restraints in GSAS

Fabio, Perhaps you could try using two planar constraints instead of one, one for each of two fragments of the 13 atoms to be planar, and include several atoms in common in the fragments. Silvina.

Planar restraints in GSAS

Dear Rietvelders, I´ve been trying to introduce some planar restraints in GSAS to refine some pharmaceuticals X-ray powder diffraction patterns. Two planar restraints must contain 13 atoms each one. I went through the GSAS manual and checked that the maximum number of atoms allowed is 12