You dont need to reprocess - just reindex k,l,h or whatever you want to do..
Reprocessing is not necessary if you are keeping the same pointgroup.
There is no change in the expected geometry of the diffraction.If for
example you were changing from pontgroup P222 where all angles are
restrained to 90 to PG P2 where alpha ad gama could vary away from 90,
then you need to reprocess..
Eleanor
On 10/17/2010 08:45 PM, Jürgen Bosch wrote:
Try pointless first with your P222 data and as output option it will provide
you the most likely space group. The warning in the GUI is just a warning,
maybe P21 21 21 is not the right space group that's why you get the warning :-)
In terms of reprocessing your data, you are not dependent on HKL2000, take
Mosflm or XDS no license required, hassle free reprocessing of your data.
Jürgen
-
Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Department of Biochemistry& Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Phone: +1-410-614-4742
Lab: +1-410-614-4894
Fax: +1-410-955-3655
http://web.mac.com/bosch_lab/
On Oct 17, 2010, at 3:34 PM, Daniel Bonsor wrote:
Hi all,
This maybe a simple/stupid question. I collected data at the synchrotron,
integrated and scaled the data in P222 using HKL2000, though I should of scaled
the data as P212121.
When I try to reindex using Reindex I get a message of
!!!! You are changing the symmetry of merged data are you SURE you know what
you are doing!!!!
WARNING: ** Symmetry change of merged data **
I am unsure of what I am doing in this case. Currently I cannot reprocess the
data as I do not have a working version of HKL2000. So my question is can I
reindex scaled data and what I should be doing with the GUI of reindex?
Thanks in advance for advice.
Just in case it is important my cell dimensions are 109.9280 160.3030
186.2200 90.0000 90.0000 90.0000 and the resolution is 2.7 Angstrom.
