Topas
Files for Topas Academic users in the University of Oxford Chemistry Department
Xinsert:
Copy the following file into your inserts folder for the Oxford Xinsert menus:
(download the target / save link as. Make sure the file is named oxford.insert.xml when you save it).
You can find your folder's location by navigating in Jedit to Plugins-> Plugin options, select Xinsert in the menu bar on the left and you should see and be able to choose the inserts directory, where your xinsert menus are called from.
Macros:
The above set of menus may contain macros that you do not have defined. Download the file below, change the filename and extension back to local.inc, then copy it to your main topas directory (eg. C:\Topas6)
The local.inc is a location for storing user defined macros. You will already have a file of this name in that directory, if it is empty you can copy over it. If it has contents then you will want to manually add the macros you need from the file above to your existing macros, avoiding duplication.
These files may be updated occasionally. If you have any functions you would like to see added to the Xinsert menus or Macros then please get in touch by email or via the contact form.
Fundamental parameter input files:
These input files are for fundamental parameter Rietveld refinement with Topas Academic version 6. They are back-compatible with previous versions of Topas with the exception of the prm_with_error parameter definer for the NIST660C lattice parameter, which will need to be changed to a simple prm definer in version 5 and below.
In practice, using fundamental parameters to describe the instrument lineshape instead of including this in a versatile peakshape convolution will often lead to more errors in the refinement, unless the user is well practiced and very careful. It is recommended to stick to a simplified instrument model and use a standard TCHZ or PV peakshape, as is done in the Xinsert menus by default, unless the user is looking to extract precise information from the peakshapes (e.g. average crystallite sizes).
