When we compute the lattice symmetry a certain tolerance is used (lattice_symmetry_max_delta=5).<div>If you run</div><div><br></div><div>iotbx.lattice_symmetry --delta=5 --unit-cell=...</div><div><br></div><div>with your P21 unit cell you can check if it comes up with the orthorhombic lattice symmetry.</div>
<div>Assuming that's OK, yes, you should be fine.</div><div><br></div><div>Ralf<br><br><div class="gmail_quote">On Mon, Sep 26, 2011 at 7:33 PM, Yuri <span dir="ltr"><<a href="mailto:yuri.pompeu@ufl.edu">yuri.pompeu@ufl.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">So in other words, if I input the reflection and the space group as P 1 21 1 (lower symmetry vs the initially attempted C 2 2 21), and I specified the operator in the refinement parameters<br>
I should be ok, right?<br>
<br>
Thank you<br><font color="#888888">
<br>
-- <br>
Yuri Pompeu<br>
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