Zitat von Whitfield, Pamela [EMAIL PROTECTED]:
Afternoon all
After spending over 2 days making up a single file, I'd like to hear
some other opinions on the practical aspects of CIF files for
structures from powder data. This is partly a moan from trying to
get a 11000 line file to pass
Vincent and co
Unfortunately I don't yet have the software to do a real VCT data-collection
(not sure many people do, hence 'VCT-type'). Until I can do it properly, the
best I can do is chop the pattern up into pieces with different count-times
(and sometimes step-size at high angles), and
Pam, as the author of the INP format it was not my intention to make your
life difficult.
Maybe I am wrong but is it the case that we are now supposed to write into
CIF more than just primary/raw data. This to me is not what was originally
meant for CIF; non-primary data such as logical
The next file I have to make is from a Topas analysis as well. I'm not
sure any other program could handle the constraints I constructed for
that one (how's that for being controvertial?!).
It might be very useful for any future reader of your cif file if you can
paste the topas inp file in
Afternoon all
After spending over 2 days making up a single file, I'd like to hear some other opinions on the practical aspects of CIF files for structures from powder data. This is partly a moanfrom trying to get a 11000 line file to pass the CheckCIF when all of the items it complains about
Title: Untitled-1
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