[phenixbb] Difficult dataset and refinement--P422? I422?Twinning?

[Bosch, Juergen]

Why don't you index over the whole dataset (XDS) ?
Or at least over a couple of images (Mosflm)

Jürgen

On May 7, 2012, at 12:50 PM, Kelly Daughtry wrote:

I agree.

The fact that two "crystals forms" appear, with related unit cells:
P422 data:
     unit_cell = 191.6999969 191.6999969 311.0539856 90 90 90
     space_group = "P 4 2 2"
I422 data:
unit_cell = 191.783 191.783 103.775 90 90 90
     space_group = "I 4 2 2"

indicated to me you have mis-indexed the P422 data. It is likely I422.
Kelly
*******************************************************
Kelly Daughtry, Ph.D.
Post-Doctoral Fellow, Raetz Lab
Biochemistry Department
Duke University
Alex H. Sands, Jr. Building
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Durham, NC 27710
P: 919-684-5178
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On Mon, May 7, 2012 at 12:18 PM, Nathaniel Echols <nechols at lbl.gov<mailto:nechols at lbl.gov>> wrote:
On Mon, May 7, 2012 at 8:46 AM, Kelly Daughtry <kddaught at bu.edu<mailto:kddaught at bu.edu>> wrote:
Looking at the P422 data, it look like you have pseudo translational symmetry.
Did you try processing this data as I422?