On Mon, Jun 13, 2011 at 10:16 AM, Ralf Grosse-Kunstleve <rwgrosse-kunstleve@lbl.gov> wrote:

Unfortunately Phenix does not always treat labels the same between different reflection file formats.  In MTZ files there is a strict correspondence between "column labels" and what you see in the various programs in Phenix, so anomalous intensities with sigmas will always appear as something like "I(+),SIGI(+),I(-),SIGI(-)".  Scalepack files will always appear as "i_obs,sigma" whether or not they contain anomalous data.
 
This is really easy to change. What labels would be best?
"i_obs,sigma(+/-)"

"i_obs(+),sigma(+),i_obs(-),sigma(-)" would be closer to the equivalent in MTZ files - but we could also just use "I(+),SIGI(+),I(-),SIGI(-)".  Using a different number of comma-separated fields is dangerous, especially in the reflection file editor (although I guess adding ",merged" to unmerged data is probably necessary right now).  d*TREK files have the same problem.

-Nat