On Tue, Jan 14, 2014 at 4:42 AM, Tim Gruene <tg@shelx.uni-ac.gwdg.de> wrote:

I would like to run Phaser-EP through the phenix GUI. When I first
uploaded the XDS_ASCII.HKL file, there was an error message about "No
valid observed reflections found in this file".

Can you send me the first three lines of the file? My guess is that it looks like this:

!FORMAT=XDS_ASCII MERGE=FALSE FRIEDEL'S_LAW=TRUE

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:

!FORMAT=XDS_ASCII MERGE=TRUE FRIEDEL'S_LAW=FALSE

then it will be accepted by the Phaser-EP GUI.

Subsequently I
uploaded an unmerged hklf4 file. The GUI tells me I need to let phenix
know about it being hklf4 by appending '=hklf4'. However, when I do
so, there is an error message the file did not exist and the Data file
line goes red. Where should I correctly append '=hklf4'?

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.

-Nat