X-dVal: X-ray Data Validation

phenix.xtriage / Matthew's Coefficient / Twinning Detection / CRYST Record analysis

This server uses software developed by the Phenix project, specifically the phenix.xtriage program, and software developed in our lab.

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Job 53 (Mar 25th, 2013 [02:09 PM])   → twinning detected

Your X-dVal Results

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Section
Summary
Completeness Plot
CRYST1 Record Search
Twin Detection Plot
Anisotropicity analyses
Twinning Analyses
Patterson analyses
Systematic absences
Wilson ratio and moments
L test for acentric data
Twinning and intensity statistics summary
Wilson ratio and moments

Acentric reflections
/^2    :2.076   (untwinned: 2.000; perfect twin 1.500)
^2/    :0.766   (untwinned: 0.785; perfect twin 0.885)
<|E^2 - 1|>    :0.751   (untwinned: 0.736; perfect twin 0.541)


Centric reflections
/^2    :3.173   (untwinned: 3.000; perfect twin 2.000)
^2/    :0.639   (untwinned: 0.637; perfect twin 0.785)
<|E^2 - 1|>    :0.988   (untwinned: 0.968; perfect twin 0.736)



NZ test (0<=z<1) to detect twinning and possible translational NCS


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|  Z  | Nac_obs | Nac_theo | Nc_obs | Nc_theo |
-----------------------------------------------
| 0.0 |   0.000 |    0.000 |  0.000 |   0.000 |
| 0.1 |   0.120 |    0.095 |  0.230 |   0.248 |
| 0.2 |   0.203 |    0.181 |  0.340 |   0.345 |
| 0.3 |   0.277 |    0.259 |  0.422 |   0.419 |
| 0.4 |   0.346 |    0.330 |  0.481 |   0.474 |
| 0.5 |   0.406 |    0.394 |  0.519 |   0.520 |
| 0.6 |   0.464 |    0.451 |  0.551 |   0.561 |
| 0.7 |   0.513 |    0.503 |  0.593 |   0.597 |
| 0.8 |   0.559 |    0.551 |  0.628 |   0.629 |
| 0.9 |   0.602 |    0.593 |  0.651 |   0.657 |
| 1.0 |   0.642 |    0.632 |  0.677 |   0.683 |
-----------------------------------------------
| Maximum deviation acentric      :  0.025    |
| Maximum deviation centric       :  0.018    |
|                                             |
| _acentric  : +0.013    |
| _centric   : -0.004    |
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