Brian,
I had an idea for a future enhancement of the cmpr program that would be
useful to me:  It would simplify life if I could use cmpr to compare
measured data directly to pdf data (sticks) without re-entering the space
group and lattice parameters. If the intensity data could be preserved,
it would also enhance the comparison, since in it current form, cmpr does
not have any intensity information (of course it can't without the atomic
positions). That relative intensity data is useful in identifying
impurity phases, and for small lattice parameter changes, will generally
not change too dramatically.  I was thinking of this feature for looking
at high temperature data, where it should be useful in sorting out multi
phase patterns quickly without resorting to a full reitveld analysis. In
this case, I frequently know what phases are likely, but I don't know
their thermal expansion behavior and its tedious to work backwards from
the measured pattern to calculate the lattice paramet!
er, then input them into cmpr to see if they are consistent. Similarly,
there are many cases in the real world where materials are affected by
solid solution and there isn't a good quick way to demonstrate that the
changes in the patterns are consistent with simple changes in lattice
parameters (or symmetry changes) of known phases. 

Taken to its logical extreme, you might consider incorporating LOGIC as
well....

Hope you and your family are well.

Best regards, and my apologies if you have already considered this!

Andy


Andy Drews 
Ford Motor Company 
MD 3028/SRL 
P.O. Box 2053 
Dearborn MI 48121-2053 
Tel: (313)248-9121, Fax: (313)322-7044 
