danielirving
Hi everyone,
I've been working on PDF refinements and was just wondering if there was a way to output the .cif of the sample that has been refined (i.e. lattice parameters and atomic positions) to check whether the structure has been refined sensibly. I've tried to use the various cif output macros etc. with no success. Any ideas?
Thanks in advance for any help!
Daniel
johnsoevans
The usual output cif macro should work as long as it's in the str section:
Out_CIF_STR(temp.cif)
danielirving
That worked perfectly, thanks!