Re: [sdpd] Automatic peak position hunting

[Armel Le Bail <armel...@fluo.univ-lemans.fr>]

>Thus the problem is not with the software programs 
>but with the data collection conditions being
>inappropriate - and then blaming the analysis software
>as a substitute for proper recollection of the
>data (?)

You know how recollection is not obvious at synchrotron
places for guys not living there and even for those living
there. 

But it seems that I have more resources than any 
peak search program since I had no difficulty to find 
manually the 2 peak positions. I do not blame the software, 
my student blames it, and I wanted to share this with you. 
No solution apart from recollection or doubling the number 
of points by interpolation? Did you try and do you
confirm the failure of these programs to propose 2 peaks
when you can see them ?

>What would your course normally advise when non-optimal
>data is collected?

The course does not suggest to record non-optimal data.
But you know what happens when you have 10 samples
and synchrotron time for recording 5 : you record 4 and 
make 6 fast patterns. This is one of the 6...

 >PS: Is this cell still considered to be unsolved?

Oversolved in fact : 300 different cell propositions with figures of 
merit >200. I still don't know which one is the good one : 2 large 
parameters highly probable, and a small one ambiguous.
Such high figures of merit are not a usual result for non-optimal 
data (well, two peaks pose a problem to automatic peak hunting, 
so you may consider that a small part of the pattern is non-optimal 
if you wish). 

Armel Le Bail
http://www.cristal.org/course/


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