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Tutorials and Examples

Louis Farrugia's WinGX Single Crystal Suite

Advantages of Using WinGX Absorption Correction

The CCP14 Homepage is at http://www.ccp14.ac.uk

[Tutorials page] | [WinGX Tutorial Index]

The advantages of Using WinGX Absorption Correction is that a variety of absorption correction options can be experimented with and easily compared during the refinement and structure solution process. For instance, when refining a structure using Shelx93 in WinGX, on each new refinement cycle, the user is prompted to confirm using the existing absorption corrected data, or to select another HKL file. Thus in the following case, users can experiment with analytical, gaussian, DIFABs and no absorption and compare results.

Prompt to select which absorption 
    corrected data to use


Tutorials on how to to the various absorption correction methods are available on the WinGX web site.

Most of the tutorials are presently based on the Cesium Titanium Silicate structure described in previous tutorials using the following faces.def file (which can also be generated via WinGX menus). Hopefully there will be a bit more variety on the tutorials in the near future.

CELL    13.385   7.422  15.133  90.00 107.70  90.00
FACE     2   0   0   0.12000
FACE    -2   0   0   0.12000
FACE     0   2   0   0.12000
FACE     0  -2   0   0.12000
FACE     0   0   2   0.05200
FACE     0   0  -2   0.05200

WinGX also has a utility called XtalView to view the crystal you describe by the crystal faces so you can validate what you type in versus the real crysal.


[Tutorials page] | [WinGX Tutorial Index]

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