[Ifeffit] Importance and Edge Step

Gerrit Schmithals schmithals at hmi.de
Sun Jun 5 13:55:50 CDT 2005

>This should usually be done using Artemis - but I do not know if there
>exist crystallographic data for iron carbide, so that was the only way
>to simulate a mixture I could think of.
>Actually the comparison of the merged dataset with my unknown sample was
>not very good. Which might be explained by the fact I do not have a
>mixture of these substances. Or is there anything fundamentally wrong
>with what I was doing?
Supplement: In the meantime I found crystallographic data for iron
carbide, but I was also able to produce an excellent fit with the method
I described by merging in Athena. So I believe merging of reference
substances in Athena can provide a quick way to simulate a mixture.


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