[phenixbb] Merging Already-Scaled MTZs

[Keller, Jacob]

Well, at least from the GUI, aimless will only take unmerged mtzs. And pointless wants only one file. This seems like such a mundane task, but I can't get anything to do this. These file-parsing interludes are not my favorite part of crystallography, but seem to be all-too-common. Ugh.

JPK

-----Original Message-----
From: Tim Gruene [mailto:tim.gruene at psi.ch] 
Sent: Wednesday, April 20, 2016 3:46 PM
To: Keller, Jacob
Cc: phenixbb at phenix-online.org
Subject: Re: [phenixbb] Merging Already-Scaled MTZs

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Hi Jacob,

I overlooked the s at mtz, i.e. I thought you wanted to re-merge a single data set.
My apologize for this.

Your question is correctly formulated and perfectly valid.

I would try pointless (easy) or cad (a little tedious but more prone to work) followed with aimless and its keyword 'onlymerge'.

Best regards,
Tim


On Wednesday, April 20, 2016 07:36:07 PM you wrote:
> Depends on your definition of "merge." What verb would you use for the 
> process I am describing?
> 
> JPK
> 
> -----Original Message-----
> From: Tim Gruene [mailto:tim.gruene at psi.ch]
> Sent: Wednesday, April 20, 2016 3:05 PM
> To: phenixbb at phenix-online.org
> Cc: Keller, Jacob
> Subject: Re: [phenixbb] Merging Already-Scaled MTZs
> 
> Dear Jacob,
> 
> it is technically not possible to merge relfection data twice, unless 
> you change to a higher symmetry space group: merging means replacing 
> symmetry related reflections with their mean.
> 
> For scaling this is different - couldn't you repeat the scaling step? 
> I am not sure if phenix contains data processing software, I thought 
> it starts at data analysis and structure solution.
> 
> Cheers,
> Tim
> 
> On Wednesday, April 20, 2016 06:59:04 PM Keller, Jacob wrote:
> > Dear Crystallographers,
> > 
> > I guess it is bad practice to merge/scale already-merged/scaled 
> > mtz's, but I have a special reason for wanting to do so. Does anyone 
> > know how this can be done in Phenix?
> > 
> > The reason is, if you're interested, that I want to detwin several 
> > different datasets to varying degrees, then merge them.
> > 
> > JPK
> > 
> > *******************************************
> > Jacob Pearson Keller, PhD
> > Looger Lab/HHMI Janelia Research Campus
> > 19700 Helix Dr, Ashburn, VA 20147
> > email: kellerj at janelia.hhmi.org
> > *******************************************
> > 
> > 
> > _______________________________________________
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> > phenixbb at phenix-online.org
> > http://phenix-online.org/mailman/listinfo/phenixbb
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> 
> --
> --
> Paul Scherrer Institut
> Tim Gruene
> - persoenlich -
> OFLC/102
> CH-5232 Villigen PSI
> phone: +41 (0)56 310 5297
> 
> GPG Key ID = A46BEE1A
- --
- --
Paul Scherrer Institut
Tim Gruene
- - persoenlich -
OFLC/102
CH-5232 Villigen PSI
phone: +41 (0)56 310 5297

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