2009/4/20
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 |
_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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