Hi Francis,<br><br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Also it's not desirable to create a _refine_data.mtz as it's unclear where the experimental phase labels came from the first place. Suppose I'm doing iterative rounds of MRSAD (with updated models during model building), I may have several AutoSol directories containing MRSAD runs for updated models.<br>
How am I going to know where the HL's in *_refine_data.mtz came from? (grepping .def files?)<br></blockquote><div><br></div><div>The full file names should be in the .eff file.</div><div>It may be useful to somehow store them in the mtz file, too. I'll keep it in mind.</div>
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It would be easier if the .def's contained the full paths of the original .mtz files and not a phenix combined data file. I may have my original reflections in one mtz, an R-free set in another, experimental phases in another, etc.<br>
</blockquote><div><br></div><div>That's exactly why I decided to consolidate all inputs in one central file. In addition, you need some place to store newly generated R-free flags.</div><div><br></div><div>Ralf</div><div>
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