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PLAT732

Author: OlexSys Ltd/22 August 2013/Categories: Documentation

If you use olex2.refine and use the BOND $H instruction, you will see numerous CheckCIF C alerts of this type: PLAT732 Olex2.refine calculates the e.s.d. values correctly, but since CheckCIF doesn't have access (or at least doesn't make use of) the variance-covariance matrix, this ALERT is generated, and the official CheckCIF documentation (see the image above) agrees with us: CheckCIF doesn't know as much about these s.u. values as olex2.refine does. In other words: This ALERT is nothing to worry about, and if you run into a referee that complains about this, please send that person this link: http://journals.iucr.org/services/cif/checking/PLAT732.html
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The latest version of ShelXL is fully supported by Olex2. 

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Olex2 Workshop at the IUCr in Prague 2020

Olex2 Workshop at the IUCr in Prague 2020

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10 February 2020/Author: OlexSys Ltd/Number of views (1033)/Comments (0)/
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