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    <p>Dear Esko,</p>
    <p><br>
    </p>
    <p>    Thank you for your input. I must also look into these papers.</p>
    <p><br>
    </p>
    <p>Jorge<br>
    </p>
    <div class="moz-cite-prefix"><br>
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    <div class="moz-cite-prefix">On 1/27/21 10:02 AM, Esko Oksanen
      wrote:<br>
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      cite="mid:87DB91B8-C411-485D-8443-612D79148786@esss.se">
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      Dear Jorge,
      <div class=""><br class="">
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      <div class="">With significant translational pseudosymmetry, at
        least close to a pseudo-centerering vector, will inevitably lead
        to higher R-values. Basically the R-value isn’t a very good
        indicator of the structure correctness any more and the expected
        values for an acentric structure are no longer really valid. I
        had a somewhat similar case long ago (<a
          href="https://doi.org/10.1107/S0907444906031519" class=""
          moz-do-not-send="true">https://doi.org/10.1107/S0907444906031519</a>)
        and since then there is a nice paper summarising the effects of
        pseudosymmetry (<a
          href="https://doi.org/10.1107/S090744490705531X" class=""
          moz-do-not-send="true">https://doi.org/10.1107/S090744490705531X</a>).</div>
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      <div class="">HTH,</div>
      <div class="">Esko</div>
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                                            style="font-size: 10px;">Esko
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                                          Scientist - Neutron
                                          Macromolecular Crystallography</span></font></font></font></div>
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          <blockquote type="cite" class="">
            <div class="">On 27 Jan 2021, at 11:46, Jorge Iulek &lt;<a
                href="mailto:iulek@uepg.br" class=""
                moz-do-not-send="true">iulek@uepg.br</a>&gt; wrote:</div>
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              <div class="">Dear all,<br class="">
                <br class="">
                <br class="">
                    I have a dataset at 2.98 A resolution, images
                processed to CC_1/2 at circa 50% in the last resolution
                shell, tetramer in the asymmetric unit, local
                (rotational) symmetry 222. Xtriage indicates a peak in
                the Patterson function at 20% height of origin peak, at
                fractional coordinates of 0.0000 0.0000 0.3177. Space
                group is P21.<br class="">
                <br class="">
                     I am aware that this brings problems to refinement
                , as even stated at xtriage output  "Translational
                pseudo-symmetry is very likely present in these data. 
                Be aware that this will change the intensity statistics
                and may impact subsequent  analyses, and in practice may
                lead to higher R-factors in refinement.", and so I can't
                lower my R and R-free below ~31 and 36 % , respectively.<br
                  class="">
                <br class="">
                    At phenix.refine, setting "tncs_correction = True"
                brings little benefit (what does this actually do?
                points to references are welcome). I wonder nevertheless
                if some strategy might help in on lowering these R's
                and, of course, allow me to build a better model (in
                spite of the resolution). I tried some combinations of
                other types of ncs and tls groups, with little success.
                Particularly, it seems that the refinement of ADPs are a
                kind of unstable (what I would understand come from the
                - partial - modular nature of the intensities - due to
                tncs - and these - ADP - would be reflected by the
                intensity fall-off with resolution). What about refining
                ADPs only to a zone which is not affect by data
                modulation? How to do that? Any other ideas?<br class="">
                <br class="">
                    Thanks,<br class="">
                <br class="">
                <br class="">
                Jorge<br class="">
                <br class="">
                <br class="">
                <br class="">
                <br class="">
                _______________________________________________<br
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