Note that neither Aimless nor Scala will do a particularly good job at scaling data from Denzo or Scalepack, since the output files from Scalepack are missing essential geometrical information. They work well with data from Mosflm or XDS (or Saint) (although AFAIK the XDS & Saint scaling programs work perfectly well)
However, Pointless may still be useful to check that you have indexed them consistently Phil On 1 Aug 2012, at 14:36, Harry Powell wrote: > 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 >> <mischa_mach...@med.unc.edu> 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 > > >
