<BODY contentEditable=true onload=parent.init()><P>Hi Jianghai,</P>
<P>Interesting, I though that by default an ML target is used. Something must have happened somewhere.</P>
<P>Check the parameter file and look for the section on bulk solvent scaling ( refinement.bulk_solvent_and_scale ). A target function can be defined, you have the choice between ml and ls_wunit_k1, ml is (I think) selected by default.</P>
<P>There is also a switch present that triggers the refinement of bulk solvent parameters using a least squares target if the r value is larger than a certain value:</P>
<P>ls_bulk_solvent_and_scale_if_r_greater_then = 0.99</P>
<P>Changing the parameter you propose changes the least squares target type if the main target selected is ls and has (as far as I understand) no influence on bulk solvent scaling. If you want, you can send a log file for a closer look.</P>
<P>HTH</P>
<P>Peter</P>
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<P><BR><BR>----- Original Message ----- <BR>From: Jianghai Zhu <jzhu@cbr.med.harvard.edu> <BR>Date: Sunday, March 25, 2007 2:58 pm <BR>Subject: [phenixbb] ls_wunit_k1 <BR>To: PHENIX user mailing list <phenixbb@phenix-online.org> <BR><BR>> Hi, <BR>> <BR>> I happen to notice that the target function of "Bulk solvent <BR>> correction and scaling" in a phenix.refine run is ls_wunit_k1. <BR>> Does <BR>> that mean LS function for bulk solvent correction and scaling is <BR>> the > default in phenix.refine? If I uncheck ls_wunit_k1 in <BR>> refinement.ls_target_names in my parameter file, will <BR>> phenix.refine <BR>> use the ML function or something bad will happen? <BR><BR>> <BR>> Jianghai <BR>> <BR>> +++++++++++++++++++++++++++++++ <BR>> Jianghai Zhu, Ph.D <BR>> CBR Institute for Biomedical Research <BR>> Department of Pathology <BR>> Harvard Medical School <BR>
> 200 Longwood Ave., Boston, MA 02115 <BR>> Ph: 617-278-3211 <BR>> Fx: 618-278-3232 <BR>> +++++++++++++++++++++++++++++++ <BR>> <BR>> <BR>> <BR>> </P></BODY>