Re: [sdpd] Recent Congress and comiing ones about SDPD

[Jon Wright <wright...@esrf.fr>]

>... So where are
>these software available 
>
Prodd remains available somewhere on ccp14 and just needs an "L PKCN 
CELL" card for each pattern to do the anisotropic thermal expansion 
stuff (together with L REFI DILS for intensity extraction). For lab 
x-ray data it still needs the lorentz factors sorting out, but there has 
yet to be a request to use the program with lab data. The difference is 
only the lorentz/polarisation factor, so if you have a monochromator and 
only alpha1 then you can just correct the data afterwards, pretending it 
was really constant wavelength neutron. One day this might get fixed, 
but I've always been nervous about the wide variety of diffractometer 
configurations which ought to be treated, let alone misalignments. In 
practice, I believe you can achieve about the same effect by using the 
same hkl file for several different lebail fits in fullprof and only 
doing one or two cycles at a time, then switching the hkl file to the 
next temperature. If you have access to source of something then you 
just make the summing totals the same for each pattern in a multipattern 
fit (make the hkl lists of subsequent patterns point back to the first 
pattern).

I still don't really recommend Prodd for general consumption, but if 
someone does try to use it, drop me a line to let me know how you get on 
and eventually an updated manual could emerge.

You forgot to mention the progress in indexing...? Seems like impurity 
lines are no longer a problem ;-)

Cheers,

Jon


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