Well, I agreed but then I realised that when since it is being stated in the beginning of the log file that it is using the xxx_scale values (even though it's not) it might confuse some people even more than it confused me. In addition the fix_xxx default values aren't in the GUI so you have to start guessing from a blank.

It matters not to me since I need the optimize option at this point.

Cheers,
Morten

On 20 June 2012 21:42, Pavel Afonine <pafonine@lbl.gov> wrote:
Hi Morten,

that might be a glitch... Though as long as you can define fix_xxx weights you can take these constants into account anyway!
So, yes, I see it as a "cosmetic" problem, but I don't think it matters too much in reality.

Pavel


On 6/20/12 5:36 AM, Morten Groftehauge wrote:
Hi all,

I tried specifying wxc, wxu, wxu_scale and wxc_scale as you can see from the log file:
  target_weights {
    wxc_scale = 0.50001
    wxu_scale = 0.49999
    fix_wxc = 6
    fix_wxu = 0.35
}
but the refinement proceeds with the default values for _scale:
========================== Target weights: x-ray data =========================

|-----------------------------------------------------------------------------|
| XYZ refinement: T = Eexperimental * wxc * wxc_scale + Echem * wc            |
| wxc = 6.000000              wxc_scale = 1.000            wc = 1.000         |
| angle between x-ray and geometry gradient vectors:     None (deg)           |
|                                                                             |
| ADP refinement: T = Eexperimental * wxu * wxu_scale + Eadp  * wu            |
| wxu = 0.350000              wxu_scale = 0.500            wu = 1.000         |
| angle between Xray and ADP gradient vectors:     None (deg)                 |
|-----------------------------------------------------------------------------|

I am running dev-1082, used the GUI for phenix.refine.

Cheers,
Morten

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--
Morten K Grøftehauge, PhD 
Pohl Group
Durham University