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:[email protected]] Sent: Wednesday, April 20, 2016 3:46 PM To: Keller, Jacob Cc: [email protected] Subject: Re: [phenixbb] Merging Already-Scaled MTZs -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 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:[email protected]] Sent: Wednesday, April 20, 2016 3:05 PM To: [email protected] 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: [email protected] *******************************************
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