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This set of cell parameters suggest that the system you have is pseudo
F222 (see below output iotbx.ehms)
Some points
- make sure one of the datasets is not twinned with a differnt fraction
than the other
this might mess up your CC
- Try running
iotbx.reflection_statistics nat.hkl der.hkl
it will perform a double coset decomposition to find all possible
reinidexing laws and
will report a CC as well.
- Non isomorphism?
--------------------------------------------------------------------------------
%iotbx.ehms --unit_cell='166 131 189 90 113 90' --space_group=C2
A summary of the constructed point group graph object is given below
====================================================================
----------------------
Input crystal symmetry
----------------------
Unit cell: (166.0, 131.0, 189.0, 90.0, 113.0, 90.0)
Unit cell volume: 3783269.42466
Space group: C 1 2 1
------------------------
Vertices and their edges
------------------------
Point group Hall: C 2y (x+y,-x+y+z,z) is a maximal subgroup of :
* Hall: F 2 2 (x-y+z,x+y+z,2*z)
Point group Hall: F 2 2 (x-y+z,x+y+z,2*z) is a maximal subgroup of :
* None
-------------------------
Transforming point groups
-------------------------
>From Hall: C 2y (x+y,-x+y+z,z) to Hall: F 2 2 (x-y+z,x+y+z,2*z)
using :
* -h,-k,h+k+l
----------------------
Compatible spacegroups
----------------------
Spacegroups compatible with a specified point group
**and** with the systematic absenses specified by the
input space group, are listed below.
Spacegroup candidates in point group Hall: C 2y (x+y,-x+y+z,z):
* C 1 2 1 166.00 131.00 196.87 90.00 117.91 90.00
Spacegroup candidates in point group Hall: F 2 2 (x-y+z,x+y+z,2*z):
* F 2 2 2 131.00 166.00 348.43 90.00 90.00 90.00
----- Original Message -----
From: claudine mayer <[EMAIL PROTECTED]>
Date: Friday, June 9, 2006 12:03 pm
Subject: [ccp4bb]: scaling problem with 2 C2 data sets
> *** For details on how to be removed from this list visit the ***
> *** CCP4 home page http://www.ccp4.ac.uk ***
>
>
> Hi all,
> We have a native and holmium derivative in space group C2
> (parameters
> are 166 131 189 90 113 90) processed with XDS. When comparing the 2
> data
> sets in dataman or XSCALE, the coefficient correlation is 0.36.
> So we reindexed one data set with -h k -l transformation, but this
> had
> no effect (the data were exactly the same after reduction in the
> asymetric unit).
>
> Any suggestions to scale these 2 data sets ?
>
> Thanks a lot,
>
> Cheers,
> Claudine
>
> --
> *************************************************************************
> Dr Claudine MAYER
> ATTENTION CHANGEMENT D'ADRESSE !!!
> LRMA Universite Paris 6
> Faculte de Medecine PITIE-SALPETRIERE
> 91 bd de l'Hopital (5ème étage gauche)
> 75634 PARIS Cedex 13
> tel : 01 40 77 95 56
> fax : 01 45 82 75 77
> mobil: 06 07 23 51 16
> 2 adresses mail :
> [EMAIL PROTECTED]
> [EMAIL PROTECTED]
> *************************************************************************
>
>
>
>
>
