Dear all
I would appreciate some statistical advice. We are measuring cell
parameters variations in-situ of some structures using in-house
diffractometers. Because the in-situ variations also causes sample
displacement, we have been using an added internal standard (Si) and
corrected the 2-theta axis so that the silicon lines are in correct
positions. Because we wanted to be sure that our method is reproducible,
we have repeated our experiments 5-10 times, and that has given us a
standard deviation for the unit cell parameters.
The standard deviation for the Si cell parameters is of course very
small, in the order of 10^-5 Å, whereas for the samples it is in the
order of 10^-2 Å. That is also the accuracy we can reasonably report our
data at.
I would like to know how to report a single statistical variation from
our values. We have the deviation of the IS, deviation of the samples,
and then the error of the refinement itself (multiplied by a number
given in the output files). How to put it all together? Our software is
FullProf 2k.
Thank you in advance,
Arto Ojuva
Stockholm University
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