<div dir="ltr">On Tue, Jan 14, 2014 at 4:42 AM, Tim Gruene <span dir="ltr"><<a href="mailto:tg@shelx.uni-ac.gwdg.de" target="_blank">tg@shelx.uni-ac.gwdg.de</a>></span> wrote:<br><div class="gmail_extra"><div class="gmail_quote">
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">I would like to run Phaser-EP through the phenix GUI. When I first<br>
uploaded the XDS_ASCII.HKL file, there was an error message about "No<br>
valid observed reflections found in this file".</blockquote><div><br></div><div>Can you send me the first three lines of the file? �My guess is that it looks like this:</div><div><br></div><div><div>!FORMAT=XDS_ASCII � �MERGE=FALSE � �FRIEDEL'S_LAW=TRUE</div>
</div><div><br></div><div>which would be interpreted by our XDS reader as being non-anomalous, even though since it's unmerged there is probably nothing stopping us from using the anomalous data anyway. �(I need to double-check this, because I don't understand why it would claim "FRIEDEL'S_LAW=TRUE" if I+ and I- are actually kept separate.) � If you instead produce a file that starts like this:</div>
<div><br></div><div><div>!FORMAT=XDS_ASCII � �MERGE=TRUE � � FRIEDEL'S_LAW=FALSE</div></div><div><br></div><div>then it will be accepted by the Phaser-EP GUI.</div><div><br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">
Subsequently I<br>
uploaded an unmerged hklf4 file. The GUI tells me I need to let phenix<br>
know about it being hklf4 by appending '=hklf4'. However, when I do<br>
so, there is an error message the file did not exist and the Data file<br>
line goes red. Where should I correctly append '=hklf4'?<br></blockquote><div><br></div><div>This may simply be a bug. �Which version are you using? �I had attempted to make the GUI handle SHELX files more sensibly (to the extent that's even possible), but I can't remember how successful I was, and it may have been after version 1.8.4 was released. �In general, SHELX format is the least compatible of the supported inputs; it's just missing too much information.</div>
<div><br></div><div>-Nat</div></div></div></div>