Re: [sdpd] McMaille slight update

[Armel Le Bail <alb...@cristal.org>]

At 10:44 09/10/2003 +0200, you wrote:
> > parameters and volume), and that they will know
> > that the d(hkl) of the first peaks on the powder
> > pattern can suggest what will be the magnitude
> > of the max cell parameters and max volume.
>
>Sounds like a "feature" for automatic mode to me! Excellent stuff...

This would be true if...

If you are not living in a lab where the powder data recording
is totally controlled by someone (technician or higher level)
who has decided that all patterns will be measured by
using Cu Kalpha radiation, starting at 10°(2-theta)...
Sort of an automatic system as well, but not an excellent
stuff (or staff).

Or even worst. Recently I obtained a pattern from someone
wanting help. The pattern came to him as if it had been
measured by using Co Kalpha. When I could obtain a sample,
I measured it myself by using Cu Kalpha. Well, the peaks
on the 2 patterns were at the same 2-theta values...
Sort of rescaling ;-).

(etc - other stories on demand ;-)

Automatism in SDPD has still to be considered in three ways :
mistrust, mistrust and mistrust.

First, measure your pattern yourself. Then have a look inside
of the manual mode of indexing software, and you will have
more chance to attain successfully the last SDPD step.

Cheers,

Armel


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