Re: [ccp4bb] resolution limits

[Pavel Afonine]

Andrew,

phenix.refine may not use reflection-outliers (Read, R. J. (1999). Acta
Cryst. D55, 1759–1764.). Typically this is just a few reflections. If you
have a good reason to disable this, then use
xray_data.outliers_rejection=false.

P.S.: There is Phenix mailing list for Phenix-related questions.

Pavel

On Wed, Jul 26, 2017 at 12:36 AM, Andrew Marshall <
andrew.c.marsh...@adelaide.edu.au> wrote:

> Dear crystallographers,
>
> I have two datasets that were merged/scaled using ccp4's aimless, with
> resolution ranges of 52-1.7 and 57-1.9. However, upon refinement, the
> resolution range used by phenix.refine is 36-1.7 for one and 104-1.9 for
> the other. 1) Why does phenix.refine change the low resolution limits of my
> processed data? 2) How can I prevent this?
>
> Thanks,
>
> Andrew
>

Re: [ccp4bb] resolution limits

[Ian Tickle]

Hi Eleanor, what you say is of course true, particularly in the case of the
1st dataset where probably the indices go down to 52 Ang. but the
measurements only start at 36 Ang.  But still it's hard to see how for the
2nd dataset, if the low res cut-off of the indices and/or measurements is
57 Ang., it manages to 'use' a reflection at 104 Ang.  All depends what you
mean by 'use' of course!

Cheers

-- Ian


On 26 July 2017 at 11:33, Eleanor Dodson  wrote:

> The resolution limits of the measured data are not changed but your output
> file must contain all possible h k l even if there is no observations for
> the lowest resolution ones..
>
> dont worry about it!
>
> Eleanor
>
> On 26 July 2017 at 08:36, Andrew Marshall  edu.au> wrote:
>
>> Dear crystallographers,
>>
>> I have two datasets that were merged/scaled using ccp4's aimless, with
>> resolution ranges of 52-1.7 and 57-1.9. However, upon refinement, the
>> resolution range used by phenix.refine is 36-1.7 for one and 104-1.9 for
>> the other. 1) Why does phenix.refine change the low resolution limits of my
>> processed data? 2) How can I prevent this?
>>
>> Thanks,
>>
>> Andrew
>>
>
>

Re: [ccp4bb] resolution limits

[Eleanor Dodson]

The resolution limits of the measured data are not changed but your output
file must contain all possible h k l even if there is no observations for
the lowest resolution ones..

dont worry about it!

Eleanor

On 26 July 2017 at 08:36, Andrew Marshall  wrote:

> Dear crystallographers,
>
> I have two datasets that were merged/scaled using ccp4's aimless, with
> resolution ranges of 52-1.7 and 57-1.9. However, upon refinement, the
> resolution range used by phenix.refine is 36-1.7 for one and 104-1.9 for
> the other. 1) Why does phenix.refine change the low resolution limits of my
> processed data? 2) How can I prevent this?
>
> Thanks,
>
> Andrew
>