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I'm pretty sure I saw in the CIF 1.0 specs that "[" at the beginning of an unquoted string is reserved -- I suppose just for this -- but I can't seem to find where this would be in the specs.
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first post - question about file format
- Subject: first post - question about file format
- From: Robert Hanson <hansonr@xxxxxxxxxx>
- Date: Thu, 1 Dec 2016 17:32:45 -0600
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When upgrading Jmol to handle the new magCIF format, I spotted something I was not expecting - a syntax that broke Jmol's CIF reader:
loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [-0.75 0.75 -0.75]
To all accounts, this looks to me like CIF 2.0 format. loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [-0.75 0.75 -0.75]
I'm pretty sure I saw in the CIF 1.0 specs that "[" at the beginning of an unquoted string is reserved -- I suppose just for this -- but I can't seem to find where this would be in the specs.
Can someone explain?
Bob Hanson
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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