[phenixbb] specifying column labels for input MTZ file
PAfonine at lbl.gov
Wed Sep 9 11:24:46 PDT 2009
I agree, you are not the first who confused by this and an example right
in the message would help.
First, your MTZ file contains the following data: (FP,SIGFP) and
(Fav,SIGFav) and it is your choice to select the one that you want to
use in refinement.
Second, once decided on the data - for example it is FP, then just add
to your command line this:
or, which is the same
On 9/9/09 11:10 AM, Tirumala Kumar Chowdary wrote:
> I am trying to run phenix.refine with a sharp output MTZ file (column
> labels H K L NUMORB FB PHIB FOM HX HY FH PHIH FP SIGFP HLA HLB HLC HLD
> HL0 Fcent PHIcent FOMcent Fmap PHImap FHref PHIHref Fav SIGFav).
> Phenix.refine stopped at
> 'Multiple equally suitable arrays of observed xray data found.
> Possible choices:
> Please use refinement.input.xray_data.labels'
> Can someone tell me on how to use this
> 'refinement.input.xray_data.labels' and how to specify which column
> labels to use. There is nothing written in the documentation about it.
> phenixbb mailing list
> phenixbb at phenix-online.org
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