Re: [sdpd] The (small) budget makes the law

["ROBIN SHIRLEY (USER)" <R.Shirley...@surrey.ac.uk>]

re Lachlan's reply (Mon, 23 Oct 2000 23:10:49) to Armel...

>    - How many time for indexing ?

A few minutes to setup for peak profiling in XFIT:

   http://www.ccp14.ac.uk/solution/powder_structure_solution_pathways/cimetidine_xfit.html

Less than a minute setup time to start using Crysfire and Chekcell 
for powder indexing:
   
   http://www.ccp14.ac.uk/solution/powder_structure_solution_pathways/cimetidine_indexing.html

My response...

While not wishing to be a party pooper, I think this refers to an
ideal case where all the data are just fine, without significant
contributions from impurities, polymorphs or other problems, so that
you can take the output from XFIT or other peak-extraction program
and just run with it. 

But quite often this won't be the case, and one will want to inspect
and enhance the data before launching serious effort on indexing with
Crysfire - perhaps updating low-angle lines vs higher orders, etc.

OK, this wouldn't quite count as program setup, but perhaps it
should still be counted as part of the preparation time. 

Best wishes

Robin Shirley

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