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<p class="MsoNormal"><span style="font-size:12.0pt">As a quick follow up on the e-mail referenced above, there was indeed a problem with how unit cell offsets were computed for CIFs, causing CheckCIF to complain that it was not computing the same bond distances/angles
as GSAS-II was reporting. The distances and angles were correct, but the labeling of the specific atom replicants was not. This bug was fixed sometime back, but the version of GSAS-II used to prepare the CIF here had not been updated in well over a year.
<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt">I�d like to ask everyone to please check that they are using the most recent version of GSAS-II before reporting a problem.
<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt">Thanks,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt">Brian<o:p></o:p></span></p>
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