You have several options:
1. scale together in XSCALE, use XDSCONV to export and avoid Aimless altogether
2. scale together in XSCALE, import into Pointless, then Aimless ONLYMERGE
3. take the two XDS_ASCII.HKL files into Pointless, then AIMLESS, either (a) SCALE CONSTANT to give a single scale for each dataset, or (b) rescale
4. take the two INTEGRATE.HKL files into Pointless and do all the scaling in Aimless
I have no idea which of these is best
Phil
On 10 Dec 2014, at 20:38, Renato Weisse <[log in to unmask]> wrote:
> Hi CCP4BBers,
>
> I would like to ask a question about how to use AIMLESS correctly with
> scaled data from XDS. I collected two data sets of the same crystal, both
> of which scaled individually with CORRECT from XDS. Merging of reflexes
> should be done with AIMLESS. Also to obtain a more comprehensive data
> statistic.
> So I fed both data sets into AIMLESS with the option ONLYMERGE. But I
> think that both data sets were not scaled to each other (which indeed is
> no surprise with key ONLYMERGE).
> So, my question is the following: what is the right order to scale and
> merge multiple datasets with XDS/AIMLESS.
> The output from XSCALE is a file with suffix .ahkl. Is it the same format
> like .hkl and does it fit into AIMLESS?
>
> I really appreciate your valuable sugestions.
>
> Kind regards,
> Renato
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