Solution

For the first time as part of the 2018 CSD release anisotropic displacement parameters (ADPs – also called thermal ellipsoids) can be viewed directly from the Mercury 3.10 visualiser window. The ADPs can be seen by either selecting the ‘Ellipsoid’ style from the display toolbar, or via Display > Styles > Ellipsoid from the top menu.

Currently, ADPs are only available for the majority of recent CSD entries based on our internal CSD-Xpedite database format which was implemented in 2013 (https://www.ccdc.cam.ac.uk/support-and-resources/support/case/?caseid=702b1370-0302-4503-8daf-a94337e07978) - this covers around 220,000 CSD entries.

A subset of CSD entries containing ADP information can be viewed from ConQuest 1.20 as a subset via View Databases > Lists in CSD version 5.39 (November 2017) > ADPs available subset from the top menu. As we continue to replace the underlying technologies in the CSD system ADPs will also become available for older CSD entries.


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