The most useful tool for sorting this out is the program Pointless,
which you download from the CCP4 pre-release pages if you haven't got
it already
Phil
On 17 Jun 2008, at 13:00, Ajit Basak wrote:
Dear all,
I am writing to get some help and advice - Recently one of my data
which I
indexed with Mosflm.
After autoindexing I decided to integrate in P23 and scale and merge
the
data in P23. After careful checking it is obvious that the space
group is
either I23, I213 or I432 not P23 or F23, F213,
When I tried to change the space group, I tried to change it with
Sortmtz
and Scala. I have also tried Reindex and Scala - it does not work.
The Scala O/P file based on Sortmtz keeps all the reflection and
giving me
200% completeness.
However when I re-integrate the same data in I23 and scale and
merged with
Scala - it looks fine.
I am not sure is it a bug or my mistake.
I have a word with Ian Tickle and Ian advice me to forward this mail
to
Phil along with CCP4 problem reporting site.
The reason I want to know is then I can do the change in other data
sets
without running Mosflm again and also that will be a good example
for teaching.
Looking forward to hearing from you soon.
Regards,
Ajit
_________________________________________________________________________
Ajit K Basak, Telephone: + 44 207 631 6823
Department of Crystallography, Fax: + 44 207 631 6803
Birkbeck College, E-mail:[EMAIL PROTECTED]
Malet Street, London WC1E 7HX, UK.
My web site address: http://www.cryst.bbk.ac.uk/~ubcg3ae/
_________________________________________________________________________
