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Re: [sdpd] question:cell paramaters calculation?

>I have some questions regarding the calculations of
>cell parameters: so by using dicvol91 for my sample I
>get the following paramters:
>a= 7.7302
>b= 11.8153
>c=6.3006
>betha=109.955
>M(20)=10.2
>F(20)=6.3 (0.0106,301)

Well, this is not a convincing cell for 2 reasons :
    - too low FoM. M(20) and F(20) > 20 or more would be better
    - F(20) indicates that you should have close to 301 hkl if your
      lattice is P, and you have detected only 20 in that angular
      range. Quite dubious... where are the >90% lacking hkl ?

Remember that DICVOL has no tolerance about unindexed data.
I would recommend using also TREOR and ITO and evenmore,
CRYSFIRE.

Armel


 

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