Dear Mohamed
Sorry for the slow response, please could you send the location of the data, we will take a look - without a more detailed investigation it will be impossible to diagnose the problem
Thanks & best wishes Graeme
> On 29 May 2016, at 12:28, Mohamed Noor <[log in to unmask]> wrote:
>
> I should add that this only happens with DIALS and not with XDS (xia2 -3dii), even with a single sweep.
>
> To the DIALS developers: The datasets were collected at Diamond, so I can give you the paths and xinfo files off-list if needed.
>
> Mohamed
>
> On Sat, 28 May 2016 23:37:48 +0100, Mohamed Noor <[log in to unmask]> wrote:
>
>> Dear all
>>
>> I processed my images with DIALS (using Xia2) from a few different crystals. While looking at the Xtriage log, I notice that it flagged the merged file as having a negative Wilson B and that any model obtained will not be realistic. Looking at the individual sweep (at least 180 degrees each), I don't see Xtriage complaining about it, so I don't know from where the negative B came from.
>>
>> The reason I merged them is that each sweep gives me about 2.6 A resolution (CC1/2) whereas merging them results in a CC1/2 of 0.3 at 2 A.
>>
>> Should I just go ahead in using the merged file?
>>
>> Thanks.
>> Mohamed
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