Hi
I'd process (i.e. index, refine, integrate) each data set
individually, check that (at least) they all have the same crystal
system, then combine the datasets using Pointless. Then scale with
Aimless.
Of course, I'd use Mosflm/Pointless/Aimless rather than HKL, but
that's another question (pace, ZO, WM, MM!)
On 1 Aug 2012, at 14:08, Uma Ratu wrote:
The data sets were collected from the same crystal by "scan"
collecting 40 frames from each section. The space group of this
crystal is P2.
My guess that I may have to index and integrate each set
indivadually, and then scale them together.
Thanks
Uma
On Wed, Aug 1, 2012 at 9:01 AM, Machius, Mischa Christian
<[email protected]> wrote:
Not much info to go by...
Anyway, if the program 'goes crazy' you either have very different
exposure levels, radiation damage leading to non-isomorphism, or
you have a trigonal space group (P3xxx or P6xxx) and forgot to make
sure all batches are indexed the same way.
If you have translated your crystal between batches, HKL2000 won't
of course be able to process all batches in one go. If you haven't
touched the crystals at all, and alln-in-one processing doesn't
work, the parameters at the end of one batch may not be accurate to
start off a new batch, which is mostly due to inaccurate
goniostats. In that case, you will need to process the batches
individually and them combine them during scaling.
Hope that helps.
MM
On Aug 1, 2012, at 8:50 AM, Uma Ratu wrote:
> Dear All:
>
> I collected 5 data sets from one crystal and would like to
process them together.
>
> Here is how I did:
>
> In HKL2000, load the all data sets. "Index" each set. When I try
"Intergrate", the program automatically go through the whole data
sets there, and do not go through.
>
> I then process data sets by loading one at each time. Index,
intergrate and scale all go through very smoothly. But when I put
them together, the program just goes crazy.
>
> Thank you for advice
>
> Uma
Harry
--
Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre,
Hills Road, Cambridge, CB2 0QH
