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 <[email protected]> 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
