Cristallographica

[Kristian Nielsen]

> Date: Tue, 25 Jan 2000 12:31:55 +0100
> From: Farhi <farhi at ill.fr>

> the program Cristallographica only works on PC's. Do you know other ways
> to generate the crystal diffraction patterns ? what file format is it
> exactly (CIF ?)

Hm, I am sorry to hear that Crystallographica is Windows only ...
Anyway, the file is just straight ASCII, list of (h,k,l) and the
structure factor |F|**2. Like this

h  k  l  dummy  dummy dummy F2
h  k  l  dummy  dummy dummy F2
h  k  l  dummy  dummy dummy F2
...

Crystallographica output the "dummy"'s, but they are not used. It should
be quite easy to write a program that inputs the atoms in the unit cells
and does the sums in the textbook expression for F2.

Anyway, this information will be in the manual (of course).

 - Kristian.