Dear Nathan,

the xds documentation explains:
"At present, MERGE=TRUE is enforced by XDSCONV for all output file formats other
than CNS and SHELX."

so this is not a bug but known. Pointless is probably the route to take, as
Graeme suggested.

Regards,
Tim

On Wed, Apr 29, 2015 at 12:47:05AM -0500, Nathan Pollock 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!

--
--
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
phone: +49 (0)551 39 22149

GPG Key ID = A46BEE1A


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