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Refinement involves many steps some of them do not guarantee
monotonic decrease in R-factor. So what you observe is possible and
in fact expectable just by the construction of the procedure.<br>
<br>
If you would like to learn more <br>
<br>
<a class="moz-txt-link-freetext" href="http://journals.iucr.org/d/issues/2012/04/00/ba5180/ba5180.pdf">http://journals.iucr.org/d/issues/2012/04/00/ba5180/ba5180.pdf</a><br>
<br>
and follow references therein.<br>
<br>
So if you don't observe R-factor jumping up by more than 2-3% then I
would say you have noting to worry about.<br>
<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 4/21/15 7:20 PM, Smith Liu wrote:<br>
</div>
<blockquote
cite="mid:33e9e626.1692b.14cdeed04fd.Coremail.smith_liu123@163.com"
type="cite">
<div
style="line-height:1.7;color:#000000;font-size:14px;font-family:Arial">
<div>Dear All,</div>
<div>�</div>
<div>Suppose I have a refine of 10 cycles, it get stablized from
cycle 7. But sometimes I noticed that from the end of the
cycle 10 to the end of the whole refinement, the stablization
from 7 to cycle 10 can be destroyed a little, which makes me
concern whether�the final refinement�can be regarded as
convergent or not.</div>
<div>�</div>
<div>Will you please explain why the stablization from 7 to
cycle 10 can be destroyed a little from the end of cycle 10�to
the end of the whole refinement? </div>
<div>�</div>
<div>More critically, in the other situation, suppose I have a
refine of 10 cycles, it get relatively stablized from cycle 5,
from the end of cycle 5 to the end of cycle 10 the Rfree
increase very slightly each cycle of the refine, which makes
at the end of cycle 10 the Rfree is slightly higher than the
Rfree at the start of the whole refinement. But from the end
of cylce 10 to the end of the whole refinement, there is a
slight decrease of Rfree, which makes the Rfree at the end of
the whole refinement slightly lower than Rfree at the start of
the whole refinement.</div>
<div>�</div>
<div>It seems to increase the cycles of the refinement would not
help further.</div>
<div>�</div>
<div>Will you please explain the above phenomenon and to see
whether the refine result can be acceptable, or do you have
any suggestions for improvement?</div>
<div>�</div>
<div>Smith<br>
</div>
</div>
</blockquote>
<br>
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