On Mon, Jun 13, 2011 at 10:16 AM, Ralf Grosse-Kunstleve <span dir="ltr"><<a href="mailto:rwgrosse-kunstleve@lbl.gov">rwgrosse-kunstleve@lbl.gov</a>></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;">
<div class="gmail_quote"><div class="im"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="gmail_quote"><div><br>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.</div>
</div></blockquote><div> </div></div><div>This is really easy to change. What labels would be best?</div><div>"i_obs,sigma(+/-)"</div></div></blockquote><div><br></div><div>"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.</div>
<div><br></div><div>-Nat</div></div>