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Hi Mark,<br>
<br>
this is controlled by main.force_anomalous_flag_to_be_equal_to
parameter which is set to None by default. <br>
<br>
Here are the possible scenarios: <br>
<br>
1) main.force_anomalous_flag_to_be_equal_to=None (default option): <br>
phenix.refine will use all Fobs: Fobs(+) and Fobs(-) as independent
reflections.<br>
<br>
2) main.force_anomalous_flag_to_be_equal_to=True:<br>
phenix.refine will generate missing Bijvoet mates.<br>
<br>
3) main.force_anomalous_flag_to_be_equal_to=False:<br>
phenix.refine will merge Fobs(+) and Fobs(-), that is instead of two
separate Fobs(+) and Fobs(-) it will use F_mean = (Fobs(+) + Fobs(-))/2<br>
<br>
The default is probably the best option
(main.force_anomalous_flag_to_be_equal_to=None). <br>
<br>
Look "<strong>group_anomalous refinement</strong>" paragraph in
phenix.refine Documentation to see how to use and refine f' and f''.<br>
<br>
Pavel.<br>
<br>
<br>
<br>
Mark A Saper wrote:
<blockquote cite="mid6B6AFDF5-BB2E-41EA-A986-D8ABCEB3804E@umich.edu"
type="cite">I am refining a structure containing SeMet with data
collected at peak wavelength. Provided I give the f' and f'', will
phenix.refine calculate F+ and F- structure factors and use the
provided FOBS+ and FOBS- ? CNS does this. Refmac only uses f' and I
get >6 sigma Fo-Fc peaks on the Se.
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<div>Thanks for your help.
<div>
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<div>
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color="#004080" face="Helvetica" size="3"><b>Mark A. Saper, Ph.D.</b></font></p>
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Michigan</font></p>
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</span></span>(734) 764-3353<span class="Apple-converted-space"><span
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