Hi Nathan, While what you observe does sound like a bug I would not like to comment whether this is right or wrong. However a "CCP4" alternative to this which I find easier to use is pointless -
pointless -c xdsin XDS_ASCII.HKL hklout sorted.mtz This will give an unmerged MTZ which can be used in aimless (though if you have already scaled in XDS I would be careful to use "scales constant" in aimless to avoid too much scaling, and essentially just merge the data. You can also take INTEGRATE.HKL into pointless and perform "normal" scaling in aimless. Best wishes Graeme On Wed, Apr 29, 2015 at 6:47 AM Nathan Pollock <npoll...@gmail.com> wrote: > I am trying to convert XDS file into something that CCP4 would recognize > while keeping reflections unmerged. Hard to believe but it's not working: > the keyword MERGE=FALSE is not recognized and the default TRUE is being > used no matter what I do: > > ***** XDSCONV ***** (VERSION March 1, 2015 BUILT=20150215) 29-Apr-2015 > Author: Wolfgang Kabsch > Copy licensed until 31-Mar-2016 to > academic users for non-commercial applications > No redistribution. > > ========== CONTROL CARDS ========== > > INPUT_FILE=temp.ahkl > > OUTPUT_FILE=temp.hkl CCP4 > FRIEDEL'S_LAW=FALSE > MERGE=FALSE ! <-- Note this input > > > > SPACE_GROUP_NUMBER= 4 > UNIT_CELL_CONSTANTS= 51.44 34.83 128.38 90.000 92.713 90.000 > FRIEDEL'S_LAW=FALSE > MERGE=TRUE ! <-- Note the default used > instead > NUMBER OF REFLECTION RECORDS ON INPUT FILE 574453 > NUMBER OF IGNORED REFLECTIONS (I< -3.0*SIGMA) 0 > NUMBER OF REFLECTIONS ACCEPTED FROM INPUT FILE 129894 > > NUMBER OF UNIQUE REFLECTIONS ASSIGNED TO TEST SET 0 > NUMBER OF UNIQUE TEST REFLECTIONS INHERITED 0 > NUMBER OF UNIQUE TEST REFLECTIONS NEWLY GENERATED 0 > > NUMBER OF REFLECTION RECORDS ON OUTPUT FILE 69305 > NUMBER OF RECORDS ASSIGNED TO WORKING SET 69305 > NUMBER OF RECORDS ASSIGNED TO TEST SET 0 > > ************************************************************************************************* > > Am I doing something wrong??? > > Also, please excuse a newbie question but is there a way to run XDSCONV > with an input file name other than XDSCONV.INP? Every time I try command > XDSCONV XDSCONV_BLAh.INP all I get is "XDSCONV: command not found" > > Thank you! > > > >
