Data quality metrics extracted from 8p37.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
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  "version": "0.2.2",
  "uuid": "1aed89afb4af13368daf11722926e32a",
  "space_group_name": "I 4",
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    "b": 112.867,
    "c": 54.119,
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    "beta": 90.0,
    "gamma": 90.0
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  "wavelengths": [0.97918],
  "diffraction_limits_estimated": {
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    "eigenvectors": [
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        "value": 0.0254
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        "type": "I/SigI",
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        "type": "CompletenessAnoEllipsoidal",
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        "type": "CC(ano)",
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    },
    {
      "resolution_limits": [1.423,1.379],
      "number_observations": 50120,
      "number_observations_unique": 3890,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.0071
        },
        {
          "type": "R(meas)",
          "value": 1.0488
        },
        {
          "type": "R(pim)",
          "value": 0.2912
        },
        {
          "type": "I/SigI",
          "value": 2.58
        },
        {
          "type": "CompletenessSpherical",
          "value": 62.4
        },
        {
          "type": "CompletenessEllipsoidal",
          "value": 79.5
        },
        {
          "type": "Redundancy",
          "value": 12.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.854
        },
        {
          "type": "CompletenessAnoSpherical",
          "value": 61.5
        },
        {
          "type": "CompletenessAnoEllipsoidal",
          "value": 78.8
        },
        {
          "type": "RedundancyAno",
          "value": 6.56
        },
        {
          "type": "CC(ano)",
          "value": 0.002
        },
        {
          "type": "SigAno",
          "value": 0.707
        }
      ]
    },
    {
      "resolution_limits": [1.379,1.333],
      "number_observations": 45713,
      "number_observations_unique": 3886,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.2432
        },
        {
          "type": "R(meas)",
          "value": 1.2999
        },
        {
          "type": "R(pim)",
          "value": 0.3766
        },
        {
          "type": "I/SigI",
          "value": 1.97
        },
        {
          "type": "CompletenessSpherical",
          "value": 51.1
        },
        {
          "type": "CompletenessEllipsoidal",
          "value": 76.2
        },
        {
          "type": "Redundancy",
          "value": 11.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.784
        },
        {
          "type": "CompletenessAnoSpherical",
          "value": 49.9
        },
        {
          "type": "CompletenessAnoEllipsoidal",
          "value": 75.3
        },
        {
          "type": "RedundancyAno",
          "value": 6.02
        },
        {
          "type": "CC(ano)",
          "value": -0.031
        },
        {
          "type": "SigAno",
          "value": 0.686
        }
      ]
    },
    {
      "resolution_limits": [1.333,1.284],
      "number_observations": 47822,
      "number_observations_unique": 3890,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.3047
        },
        {
          "type": "R(meas)",
          "value": 1.3613
        },
        {
          "type": "R(pim)",
          "value": 0.3850
        },
        {
          "type": "I/SigI",
          "value": 1.87
        },
        {
          "type": "CompletenessSpherical",
          "value": 42.8
        },
        {
          "type": "CompletenessEllipsoidal",
          "value": 79.3
        },
        {
          "type": "Redundancy",
          "value": 12.29
        },
        {
          "type": "CC(1/2)",
          "value": 0.757
        },
        {
          "type": "CompletenessAnoSpherical",
          "value": 41.4
        },
        {
          "type": "CompletenessAnoEllipsoidal",
          "value": 78.4
        },
        {
          "type": "RedundancyAno",
          "value": 6.33
        },
        {
          "type": "CC(ano)",
          "value": -0.001
        },
        {
          "type": "SigAno",
          "value": 0.689
        }
      ]
    },
    {
      "resolution_limits": [1.284,1.219],
      "number_observations": 46315,
      "number_observations_unique": 3886,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.5580
        },
        {
          "type": "R(meas)",
          "value": 1.6279
        },
        {
          "type": "R(pim)",
          "value": 0.4665
        },
        {
          "type": "I/SigI",
          "value": 1.51
        },
        {
          "type": "CompletenessSpherical",
          "value": 26.6
        },
        {
          "type": "CompletenessEllipsoidal",
          "value": 80.1
        },
        {
          "type": "Redundancy",
          "value": 11.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.680
        },
        {
          "type": "CompletenessAnoSpherical",
          "value": 25.3
        },
        {
          "type": "CompletenessAnoEllipsoidal",
          "value": 80.0
        },
        {
          "type": "RedundancyAno",
          "value": 6.18
        },
        {
          "type": "CC(ano)",
          "value": -0.031
        },
        {
          "type": "SigAno",
          "value": 0.668
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):

  Overall InnerShell OuterShell
Low resolution limit [Å] 39.905 3.652 1.284
High resolution limit [Å] 1.219 2.889 1.219
R(merge) 0.0877 0.0473 1.5580
R(meas) 0.0914 0.0493 1.6279
R(pim) 0.0254 0.0139 0.4665
CC(1/2) 0.999 0.999 0.680
CC(ano) -0.339 -0.348 -0.031
|DANO|/σ(DANO) 0.710 0.704 0.668
Completeness (spherical) [%] 76.7 99.8 26.6
Completeness (ellipsoidal) [%] 94.0 99.8 80.1
Multiplicity 12.8 13.1 11.9
Anomalous completeness (spherical) [%] 75.9 99.8 25.3
Anomalous completeness (ellipsoidal) [%] 93.8 99.8 80.0
Anomalous multiplicity 6.6 6.2 6.2


Binned data generated from MXLIMS-JSON (via JavaScript):

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) CC(ano) |DANO|/σ(DANO) Completeness (spherical) [%] Completeness (ellipsoidal) [%] Multiplicity Anomalous completeness (spherical) [%] Anomalous completeness (ellipsoidal) [%] Anomalous multiplicity
39.905-3.652 0.0428 0.0446 0.0124 0.999 -0.444 0.539 99.8 99.8 12.6 99.8 99.8 6.6
3.652-2.889 0.0473 0.0493 0.0139 0.999 -0.348 0.704 99.8 99.8 13.1 99.8 99.8 6.2
2.889-2.521 0.0608 0.0633 0.0177 0.999 -0.183 0.786 99.8 99.8 12.8 99.8 99.8 6.5
2.521-2.286 0.0760 0.0790 0.0214 0.998 -0.204 0.741 99.8 99.8 13.6 99.8 99.8 6.9
2.286-2.121 0.0941 0.0978 0.0263 0.998 -0.205 0.770 99.8 99.8 13.9 99.8 99.8 7.1
2.121-1.995 0.1237 0.1289 0.0360 0.997 -0.134 0.756 100.0 100.0 12.7 100.0 100.0 6.5
1.995-1.895 0.1699 0.1767 0.0485 0.995 -0.094 0.725 100.0 100.0 13.2 100.0 100.0 6.7
1.895-1.812 0.2234 0.2324 0.0638 0.992 -0.082 0.730 100.0 100.0 13.2 100.0 100.0 6.7
1.812-1.741 0.2875 0.3000 0.0851 0.987 -0.053 0.714 100.0 100.0 12.4 100.0 100.0 6.3
1.741-1.681 0.4000 0.4164 0.1148 0.976 -0.032 0.720 100.0 100.0 14.1 100.0 100.0 6.6
1.681-1.628 0.4538 0.4719 0.1286 0.971 0.015 0.730 100.0 100.0 13.5 100.0 100.0 6.8
1.628-1.581 0.5270 0.5479 0.1492 0.960 -0.006 0.702 99.8 99.8 13.5 99.8 99.8 6.8
1.581-1.539 0.6281 0.6530 0.1779 0.947 -0.004 0.699 99.2 99.2 13.5 99.1 99.1 6.8
1.539-1.500 0.7257 0.7547 0.2063 0.931 -0.019 0.715 96.0 96.3 13.4 95.9 96.2 6.8
1.500-1.462 0.8629 0.9009 0.2572 0.895 -0.012 0.712 90.8 95.5 12.2 90.5 95.3 6.2
1.462-1.423 0.9862 1.0299 0.2947 0.847 -0.030 0.692 78.7 89.4 12.1 78.1 89.0 6.2
1.423-1.379 1.0071 1.0488 0.2912 0.854 0.002 0.707 62.4 79.5 12.9 61.5 78.8 6.6
1.379-1.333 1.2432 1.2999 0.3766 0.784 -0.031 0.686 51.1 76.2 11.8 49.9 75.3 6.0
1.333-1.284 1.3047 1.3613 0.3850 0.757 -0.001 0.689 42.8 79.3 12.3 41.4 78.4 6.3
1.284-1.219 1.5580 1.6279 0.4665 0.680 -0.031 0.668 26.6 80.1 11.9 25.3 80.0 6.2