On Feb 22, 2007, at 2:20 PM, Jonathan Wright wrote:
From http://www.iucr.org/iucr-top/cif/faq/
# What is DDL3?
DDL version 3 is the name given to some work in progress by Syd
Hall and his colleagues at the University of Western Australia. It
is intended to build on the greater consistenc
I was actually not questioning the pricing policy of the PDF database,
sorry for the confusion! What I was questioning was whether it would be a
valid option to have that single desktop computer with the PDF database
(paid by me for my research group), which is in my students' office and
used b
Cora, I have passed your question on to Alex Renshaw. But I don't want to
get into a debate on the pricing policy of the PDF database just yet :-)
Alan.
Cora Lind said:
>>BTW, thanks to Alex Renshaw I have been playing with Crystallographica's
>>CSM search-match application,
>>http://www.crystallo
Hi Everybody,
The ongoing discussion for Q-space is quite interesting for many of us. But
I just need a quick tip regarding the following:
I have a list of 2-theta and I's. I want to present them graphically. I can
easily make a 'dif' file and can plot it as a line-pattern from Eva, or I
can input
BTW, thanks to Alex Renshaw I have been playing with Crystallographica's
CSM search-match application,
http://www.crystallographica.co.uk/searchmatch/ which generates a powder
pattern "instantly" when you click on any structure in a long Powder
Diffraction File list, and compares it with any
At 16:44 22/02/2007, Brian H. Toby wrote:
>Alan, perhaps you might be able to figure out how to configure firefox to
>launch pdCIFplot when it encounters a .CIF file on various platforms?
Thanks Brian. I imagined that would be how it worked, since even if it could be
done, embedding (the same)
I should add about cif is that there exists a number fundamental
incompatibilities between pdCIF & mmCIF. One main issue, as I understand
it, is that pdCIF naturally can describe multiple data sets (powder
patterns) used in a single structure analysis - mmCIF seems to forbid
this. This will cause t
On Feb 22, 2007, at 4:54 AM, Alan Hewat wrote:
Now this sounds interesting. Certainly the raw data should be
archived and people could then plot it as they wish. But are there
examples of interactive plotting applications embedded in powderCIF
files, and what language might they use ? I wou
From http://www.iucr.org/iucr-top/cif/faq/
# What is DDL3?
DDL version 3 is the name given to some work in progress by Syd Hall and
his colleagues at the University of Western Australia. It is intended to
build on the greater consistency and data typing abilities of DDL2
without tying the d
Dear Colleagues,
I am happy to see, that the presentation of diffraction data is not just
something neglected but that there a quite a lot of people with diferent
thoughts and reasons and that is it a hot topic to find some ways to
more modern and standard presentation. Nothing is really new,
>All of these problems of "what to plot" would go away if we all submitted
>powderCIF files for our refinements. The "plot" could then be an interactive
>application embedded in the electronic document and readers could select the
>units they want.
Now this sounds interesting. Certainly the ra
Jacco,
I/sigma_I is a good idea in principle. It just looks ugly if you get the
sigmas right for certain instruments - there are meaningless steps all
over the place.
All of these problems of "what to plot" would go away if we all
submitted powderCIF files for our refinements. The "plot" cou
Jacco van de Streek a écrit :
Example 1. Background subtraction.
Measured: Iobs = 100 counts, so ESD = SQRT(100) = 10.
The background at that point is determined to be, say,
102. The nett intensity at that point is then 100 -
102 = -2. However, the ESD of the point does not
change as a result of
>I don't know how to generate a proper PCR file of the (La,Sr)MnO3 crystalline
>powder
There are full instructions and examples of FullProf PCR files on our server:
http://www.ill.fr/dif/Soft/fp/
In particular http://www.ill.fr/dif/Soft/fp/downloads/Docs/pcr_dat.zip contains
a PCR file for LaM
Please see the following message from Apurva Mehta. If like him you receive
messages but cannot post to the Rietveld list, it is not because you are being
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exactly to your registered email address. In that case simply re-
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