Best is what at the end provides the solution :-) Kay Diedrich recently had a thread about two weeks ago about the pro and cons of various options of scaling and why not to do certain things. I’m sure google in combination with CCP$ will help find that thread ….
I believe it was called “To scale or not to scale" Jürgen ...................... Jürgen Bosch Johns Hopkins University Bloomberg School of Public Health Department of Biochemistry & Molecular Biology Johns Hopkins Malaria Research Institute 615 North Wolfe Street, W8708 Baltimore, MD 21205 Office: +1-410-614-4742<tel:%2B1-410-614-4742> Lab: +1-410-614-4894<tel:%2B1-410-614-4894> Fax: +1-410-955-2926<tel:%2B1-410-955-2926> http://lupo.jhsph.edu On Dec 10, 2014, at 4:28 PM, Phil Evans <[email protected]<mailto:[email protected]>> wrote: 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]<mailto:[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
