Please send me the inputs off-list and I will take a look. I suspect the problem is that the "original MTZ" isn't really the appropriate file - there is a weird corner case where the output of Aimless (I think) is recognized as "unmerged" even though nearly all reflections are unique. This could explain the weird statistics, in which case my recommendation would be to re-run the scaling exactly as before but also directing Aimless to output the unmerged reflections as a Scalepack file. (Or, in the future, if you process your data with xia2 it will do this automatically, but I don't think you need to re-process these data to get what you need.) (Actually, I don't even need to see the file itself - you could just run phenix.merging_statstics on the MTZ file and send me the result.) On Sat, Jan 17, 2015 at 8:40 PM, SD Y wrote:

------------------------------ From: [email protected] To: [email protected] Subject: question regarding Table1 Date: Fri, 16 Jan 2015 20:30:47 -0600

Hi Everyone,

I used phenix refined pdb, mtz and original mtz in the latest version of phenix to generate Table 1 and I felt the following was not right. I am not sure of the reason.

*R-merge*

1.193e-17 (1.036e-17)

*R-meas*

1.688e-17

*CC1/2*

1 (1)

*CC**

1 (1)

Let me know . I appreciate your comments.

Regards, SDY

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