Hi Renato, have a look at the first example: http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Xscale A minimal input file to combine two datasets into one file is:
OUTPUT_FILE=fae-native.ahkl INPUT_FILE= ../fae-native/xds_1/XDS_ASCII.HKL INPUT_FILE= ../fae-native/xds_2/XDS_ASCII.HKL 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 3:38 PM, Renato Weisse <rwei...@strubio.uni-kiel.de<mailto:rwei...@strubio.uni-kiel.de>> 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
