[phenixbb] specifying column labels for input MTZ file
Tirumala Kumar Chowdary
Tirumala.Chowdary at tufts.edu
Wed Sep 9 11:10:27 PDT 2009
Hi,
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:
sharp_sad_se_eden.mtz:FP,SIGFP
sharp_sad_se_eden.mtz:Fav,SIGFav
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.
Thanks
Tirumal
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