Data quality metrics extracted from 8w86.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
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    "gamma": 90.00
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      "number_observations": 21405,
      "number_observations_unique": 3881,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8396
        },
        {
          "type": "R(meas)",
          "value": 0.9280
        },
        {
          "type": "R(pim)",
          "value": 0.3908
        },
        {
          "type": "I/SigI",
          "value": 2.21
        },
        {
          "type": "CompletenessSpherical",
          "value": 71.0
        },
        {
          "type": "CompletenessEllipsoidal",
          "value": 88.7
        },
        {
          "type": "Redundancy",
          "value": 5.52
        },
        {
          "type": "CC(1/2)",
          "value": 0.697
        },
        {
          "type": "CompletenessAnoSpherical",
          "value": 70.8
        },
        {
          "type": "CompletenessAnoEllipsoidal",
          "value": 88.0
        },
        {
          "type": "RedundancyAno",
          "value": 2.79
        },
        {
          "type": "CC(ano)",
          "value": 0.005
        },
        {
          "type": "SigAno",
          "value": 0.783
        }
      ]
    },
    {
      "resolution_limits": [2.630,2.549],
      "number_observations": 20717,
      "number_observations_unique": 3879,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8962
        },
        {
          "type": "R(meas)",
          "value": 0.9943
        },
        {
          "type": "R(pim)",
          "value": 0.4258
        },
        {
          "type": "I/SigI",
          "value": 1.94
        },
        {
          "type": "CompletenessSpherical",
          "value": 57.4
        },
        {
          "type": "CompletenessEllipsoidal",
          "value": 83.4
        },
        {
          "type": "Redundancy",
          "value": 5.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.663
        },
        {
          "type": "CompletenessAnoSpherical",
          "value": 57.1
        },
        {
          "type": "CompletenessAnoEllipsoidal",
          "value": 82.4
        },
        {
          "type": "RedundancyAno",
          "value": 2.71
        },
        {
          "type": "CC(ano)",
          "value": -0.003
        },
        {
          "type": "SigAno",
          "value": 0.785
        }
      ]
    },
    {
      "resolution_limits": [2.549,2.457],
      "number_observations": 22295,
      "number_observations_unique": 3881,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.0658
        },
        {
          "type": "R(meas)",
          "value": 1.1717
        },
        {
          "type": "R(pim)",
          "value": 0.4810
        },
        {
          "type": "I/SigI",
          "value": 1.69
        },
        {
          "type": "CompletenessSpherical",
          "value": 44.1
        },
        {
          "type": "CompletenessEllipsoidal",
          "value": 78.6
        },
        {
          "type": "Redundancy",
          "value": 5.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.564
        },
        {
          "type": "CompletenessAnoSpherical",
          "value": 44.1
        },
        {
          "type": "CompletenessAnoEllipsoidal",
          "value": 77.9
        },
        {
          "type": "RedundancyAno",
          "value": 2.91
        },
        {
          "type": "CC(ano)",
          "value": -0.004
        },
        {
          "type": "SigAno",
          "value": 0.765
        }
      ]
    },
    {
      "resolution_limits": [2.457,2.236],
      "number_observations": 23238,
      "number_observations_unique": 3880,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.2292
        },
        {
          "type": "R(meas)",
          "value": 1.3440
        },
        {
          "type": "R(pim)",
          "value": 0.5384
        },
        {
          "type": "I/SigI",
          "value": 1.56
        },
        {
          "type": "CompletenessSpherical",
          "value": 14.0
        },
        {
          "type": "CompletenessEllipsoidal",
          "value": 61.4
        },
        {
          "type": "Redundancy",
          "value": 5.99
        },
        {
          "type": "CC(1/2)",
          "value": 0.511
        },
        {
          "type": "CompletenessAnoSpherical",
          "value": 14.0
        },
        {
          "type": "CompletenessAnoEllipsoidal",
          "value": 60.2
        },
        {
          "type": "RedundancyAno",
          "value": 3.04
        },
        {
          "type": "CC(ano)",
          "value": 0.020
        },
        {
          "type": "SigAno",
          "value": 0.780
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 126.220 6.921 2.457
High resolution limit [Å] 2.236 5.481 2.236
R(merge) 0.1016 0.0524 1.2292
R(meas) 0.1127 0.0579 1.3440
R(pim) 0.0480 0.0243 0.5384
CC(1/2) 0.998 0.997 0.511
CC(ano) -0.073 -0.122 0.020
|DANO|/σ(DANO) 0.789 0.782 0.780
Completeness (spherical) [%] 69.1 99.9 14.0
Completeness (ellipsoidal) [%] 93.6 99.9 61.4
Multiplicity 5.3 5.5 6.0
Anomalous completeness (spherical) [%] 68.0 99.9 14.0
Anomalous completeness (ellipsoidal) [%] 92.1 99.9 60.2
Anomalous multiplicity 2.7 2.8 3.0


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
126.220-6.921 0.0338 0.0375 0.0159 0.998 -0.160 0.620 99.7 99.7 5.4 99.7 99.7 2.8
6.921-5.481 0.0524 0.0579 0.0243 0.997 -0.122 0.782 99.9 99.9 5.5 99.9 99.9 2.8
5.481-4.775 0.0475 0.0536 0.0243 0.997 -0.107 0.741 98.6 98.6 4.5 95.5 95.5 2.3
4.775-4.329 0.0492 0.0556 0.0253 0.997 -0.134 0.757 98.8 98.8 4.5 95.3 95.3 2.3
4.329-4.020 0.0622 0.0698 0.0311 0.996 -0.039 0.791 99.4 99.4 4.8 97.0 97.0 2.5
4.020-3.781 0.0783 0.0874 0.0381 0.995 -0.083 0.830 99.8 99.8 5.0 97.0 97.0 2.6
3.781-3.591 0.0926 0.1031 0.0446 0.993 -0.064 0.834 99.7 99.7 6.1 97.8 97.8 2.6
3.591-3.434 0.1168 0.1297 0.0553 0.991 -0.037 0.853 99.8 99.8 5.2 97.8 97.8 2.7
3.434-3.302 0.1478 0.1636 0.0690 0.986 -0.037 0.846 99.7 99.7 5.3 98.4 98.4 2.7
3.302-3.187 0.2019 0.2232 0.0937 0.977 -0.061 0.823 99.8 99.8 5.4 98.4 98.4 2.7
3.187-3.087 0.2633 0.2910 0.1219 0.960 -0.021 0.818 99.7 99.7 5.4 98.0 98.0 2.8
3.087-2.998 0.3370 0.3721 0.1553 0.940 -0.023 0.794 99.6 99.6 5.4 98.9 98.9 2.8
2.998-2.919 0.4220 0.4657 0.1939 0.912 -0.035 0.793 99.8 99.8 5.5 98.6 98.6 2.8
2.919-2.847 0.4704 0.5185 0.2151 0.904 -0.003 0.785 98.5 98.5 5.5 97.8 97.8 2.8
2.847-2.776 0.5794 0.6374 0.2621 0.860 0.024 0.798 91.2 95.1 5.7 91.0 94.6 2.9
2.776-2.704 0.7240 0.7950 0.3242 0.778 -0.016 0.784 81.2 92.1 5.8 81.0 91.3 2.9
2.704-2.630 0.8396 0.9280 0.3908 0.697 0.005 0.783 71.0 88.7 5.5 70.8 88.0 2.8
2.630-2.549 0.8962 0.9943 0.4258 0.663 -0.003 0.785 57.4 83.4 5.3 57.1 82.4 2.7
2.549-2.457 1.0658 1.1717 0.4810 0.564 -0.004 0.765 44.1 78.6 5.7 44.1 77.9 2.9
2.457-2.236 1.2292 1.3440 0.5384 0.511 0.020 0.780 14.0 61.4 6.0 14.0 60.2 3.0