You can take XDS data into Pointless & Aimless (the CCP4 Data Reduction task) either from the unscaled INTEGRATE.HKL or the scaled XDS_ASCII.HKL file (or files). In the case of a single XDS_ASCII.HKL you don't need to rescale it in Aimless, though you can if you want.
Aimless uses a similar but not identical scaling model to XDS, which may be better or worse (and how do you judge?).
Phil
On 11 Nov 2014, at 19:50, wtempel <[log in to unmask]> wrote:
> Hello all,
> in a discussion on this board, Kay Diederichs questioned the effect of scaling data in AIMLESS after prior scaling in XDS (CORRECT). I understand that the available alternatives in this work flow are to specify the AIMLESS ‘onlymerge’ command, or not.
> Are there any arguments for the preference of one alternative over the other?
> Thank you for your insights,
> Wolfram Tempel
>
|