Cimetidine tutorial

Prerequisites

If you have all this, you can launch Fox !

Create your Crystal Structure

You're done with the Crystal structure. You can (should) save using the top Fox menu File->Save. This will save everything as an xml file, using a specific format to ObjCryst++/Fox.

Create the PowderPattern object (X-Ray)

Auto-indexing: unit cell determination

Crystal structure description

Once you have done this, save again your work in an xml/xml.gz file using the top File menu.

Powder pattern: background and crystalline phase, Le Bail fit

Maybe you should save again now ?

Spacegroup determination

Global Optimization object

Last step: export the solved crystal Structure

None: Tutorials/Cimetidine (last edited 2011-09-13 09:55:14 by VincentFavreNicolin)