On Mon, Jun 21, 2010 at 11:53 AM, Robert Immormino <span dir="ltr">&lt;<a href="mailto:immormino@gmail.com">immormino@gmail.com</a>&gt;</span> wrote:<br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Is this difference actually too big to be using the same R-free set?<br>
If the difference is not too big,  how do I get the reflection file<br>
editor past this error?<br></blockquote><div><br></div><div>Sorry, this has been an item on my to-do list for a while.  The next installer will have options to disable the unit cell (or space group) check (in the &quot;Change symmetry&quot; dialog).  I need to test the new code on something real, so if you&#39;re willing to send me (not the list!) the files, I can give you the combined reflections.</div>
<div><br></div><div>There probably are situations where these unit cells are different enough to cause problems (MIR, or switching to new data partway through refinement), but I would definitely want to keep using the same R-free set in this case.</div>
<div><br></div><div>thanks,</div><div>Nat</div></div>