Thank you, Florian! That did it. This should be included in the docs.
Engin
On 07/25/2011 01:23 PM, Florian Schmitzberger wrote:
> Hi Engin,
>
> I encountered the same issue a couple of months ago. As I understand,
> the REMOVE.HKL file will only be used if you specify the spacegroup
> and unit cell in the XDS.INP file.
>
> Cheers,
>
> Florian
>
> On Jul 25, 2011, at 1:14 PM, Engin Özkan wrote:
>
>> Hi all,
>>
>> After about a year of not working with XDS, I was a little surprised
>> to see that adding a REMOVE.HKL file to the current directory and
>> running CORRECT does not remove outliers. I still see the same
>> reflections reported at the end of my new CORRECT.LP file and I have
>> grepped the XDS_ASCII.HKL file to observe, to my dismay, that the
>> "removed" are still present. Since I do not see this reported and
>> this must be a daily used option by many of you out there, I am
>> guessing that I must be doing something wrong, but it escapes me.
>>
>> For my and anybody else's sanity, here is my REMOVE.HKL file:
>> $ more REMOVE.HKL
>> 21 15 -17 2.10 963.70 0.1638E+06 0.9804E+04 "alien"
>> 3 9 -27 2.17 58.11 0.2972E+04 0.1788E+03 "alien"
>> 3 11 -26 2.17 32.12 0.1643E+04 0.1002E+03 "alien"
>> 25 9 -20 2.04 11.89 0.3647E+03 0.1498E+02 "alien"
>> 2 4 -33 1.87 10.88 0.1215E+03 0.8789E+01 "alien"
>> 13 9 -19 2.71 10.69 0.1397E+04 0.4445E+02 "alien"
>> 17 7 -29 1.99 10.65 0.2353E+03 0.1573E+02 "alien"
>> 16 14 -29 1.83 10.58 0.8817E+02 0.9706E+01 "alien"
>> 18 12 -28 1.90 10.16 0.1566E+03 0.1325E+02 "alien"
>>
>> I am using the most recently updated version of xds on a Scientific
>> Linux 6.0 (64-bit) machine.
>>
>> Hey, I just figured out that using the December 6, 2010 version
>> installed back in January on a different 64-bit linux machine, the
>> REMOVE.HKL file was successfully used. So this may be a problem with
>> the recent bug-fix update (which we have through SBGrid).
>>
>> All clues, hits, pointers are appreciated.
>>
>> Best,
>>
>> Engin
>
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