[phenixbb] phenix xtriage

[Peter Zwart]

2009/4/20  <sbiswas2 at ncsu.edu>:
>
> Hi,
>
> I tried running phenix xtriage with a scaled data in P4322 space group. I
> got the following output:
> -----------------------------------------------------------------------------------
> | space group | n absent | <Z>_absent | <Z/sigZ>_absent | +++ | --- |
> score       |
> -----------------------------------------------------------------------------------
> | P 4 2 2     | 0        |     0.00   |     0.00        |  0  |  5  |
> 0.000e+00  |
> | P 41 2 2    | 0        |     0.00   |     0.00        |  0  |  5  |
> 0.000e+00  |
> | P 42 2 2    | 0        |     0.00   |     0.00        |  0  |  5  |
> 0.000e+00  |
> | P 43 2 2    | 0        |     0.00   |     0.00        |  0  |  5  |
> 0.000e+00  |
> | P 4 21 2    | 8        |     1.71   |     8.07        |  6  |  3  |
> 4.817e+00  |
> | P 41 21 2   | 8        |     1.71   |     8.07        |  6  |  3  |
> 4.817e+00  |
> | P 42 21 2   | 8        |     1.71   |     8.07        |  6  |  3  |
> 4.817e+00  |
> | P 43 21 2   | 8        |     1.71   |     8.07        |  6  |  3  |
> 4.817e+00  |
>
> Can anyone explain what these numbers mean? It seems all enantiomorphic
> space groups have the same score (which is the last column)

n absent: number of absent intensities according to spacegroup

Z absent: mean normalized intensity for absent reflections
Z/sigZ: 'signal to noise' of absent reflections
+++ : reflections that seem present that should be absent
---- : reflections that seem absent but should be present
score: a likelihood based score combining all info

If you want, you can send me your sca file and I can have look to make
sure that nothing is messed up.

Cheers

Peter


> The documentation in phenix does not explain this in detail.
> I scaled the data in HKL2000 and there was no systematic absences with
> P43222.
> Thanks,
> Shya
>
>
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>



-- 
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P.H. Zwart
Beamline Scientist
Berkeley Center for Structural Biology
Lawrence Berkeley National Laboratories
1 Cyclotron Road, Berkeley, CA-94703, USA
Cell: 510 289 9246
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PHENIX: http://www.phenix-online.org
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