Ok, sorry for not having been enough informative then. My goal is to put 2 MTZ on absolute scale. Currently, the ones I have are all calculated from some PDBs (using CCP4's sfall) so they have FC and PHIC (and hopefully are already on absolute scale). Maybe soon I will have an MTZ containing experimental data so this one will only have FP and SIGFP. I was thinking I should do a wilson plot, then apply to the corresponding MTZ the B-factor and scale correction that was found. I don't want to scale one to the other because the calculated one is always in P1 and in a big unit cell, unlike the real data MTZ. Regards, Francois. Pavel Afonine wrote:
Hi Francois,
in PHENIX there are many tools that do this or similar task, internally or exposed to the user-level in some sense (may be not exactly what you ask).
If you explain what exactly and why you are trying to do then I might be able to suggest a right tool or help with a custom script.
From your question it is not clear to me what you mean by "to apply both the scale and overall B-factor correction found by the wilson plot to a given MTZ file". A "given MTZ file" may contain Fobs, Fcalc, or Fourier map coefficients or HL coefficients, or whatever else I or a program decide to store in it.
Pavel.
On 4/8/10 8:54 PM, Francois Berenger wrote:
Hello,
Is there a tool to apply both the scale and overall B-factor correction found by the wilson plot to a given MTZ file?
After applying these corrections, is there another way than redoing wilson to check that the output MTZ is on absolute scale?
Thanks a lot, Francois. _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
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