Data quality metrics extracted from 8q68.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
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    "beta": 90.0,
    "gamma": 90.0
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    {
      "resolution_limits": [1.964,1.916],
      "number_observations": 9997,
      "number_observations_unique": 1737,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8476
        },
        {
          "type": "R(meas)",
          "value": 0.9313
        },
        {
          "type": "R(pim)",
          "value": 0.3795
        },
        {
          "type": "I/SigI",
          "value": 2.76
        },
        {
          "type": "CompletenessSpherical",
          "value": 69.9
        },
        {
          "type": "CompletenessEllipsoidal",
          "value": 95.2
        },
        {
          "type": "Redundancy",
          "value": 5.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.783
        },
        {
          "type": "CompletenessAnoSpherical",
          "value": 68.4
        },
        {
          "type": "CompletenessAnoEllipsoidal",
          "value": 91.6
        },
        {
          "type": "RedundancyAno",
          "value": 3.03
        },
        {
          "type": "CC(ano)",
          "value": -0.023
        },
        {
          "type": "SigAno",
          "value": 0.776
        }
      ]
    },
    {
      "resolution_limits": [1.916,1.867],
      "number_observations": 10080,
      "number_observations_unique": 1740,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.1054
        },
        {
          "type": "R(meas)",
          "value": 1.2123
        },
        {
          "type": "R(pim)",
          "value": 0.4897
        },
        {
          "type": "I/SigI",
          "value": 2.09
        },
        {
          "type": "CompletenessSpherical",
          "value": 61.4
        },
        {
          "type": "CompletenessEllipsoidal",
          "value": 93.5
        },
        {
          "type": "Redundancy",
          "value": 5.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.665
        },
        {
          "type": "CompletenessAnoSpherical",
          "value": 61.0
        },
        {
          "type": "CompletenessAnoEllipsoidal",
          "value": 91.1
        },
        {
          "type": "RedundancyAno",
          "value": 3.02
        },
        {
          "type": "CC(ano)",
          "value": -0.006
        },
        {
          "type": "SigAno",
          "value": 0.792
        }
      ]
    },
    {
      "resolution_limits": [1.867,1.808],
      "number_observations": 10053,
      "number_observations_unique": 1740,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.2610
        },
        {
          "type": "R(meas)",
          "value": 1.3832
        },
        {
          "type": "R(pim)",
          "value": 0.5595
        },
        {
          "type": "I/SigI",
          "value": 1.82
        },
        {
          "type": "CompletenessSpherical",
          "value": 46.3
        },
        {
          "type": "CompletenessEllipsoidal",
          "value": 84.9
        },
        {
          "type": "Redundancy",
          "value": 5.78
        },
        {
          "type": "CC(1/2)",
          "value": 0.606
        },
        {
          "type": "CompletenessAnoSpherical",
          "value": 46.3
        },
        {
          "type": "CompletenessAnoEllipsoidal",
          "value": 84.0
        },
        {
          "type": "RedundancyAno",
          "value": 3.01
        },
        {
          "type": "CC(ano)",
          "value": -0.013
        },
        {
          "type": "SigAno",
          "value": 0.800
        }
      ]
    },
    {
      "resolution_limits": [1.808,1.580],
      "number_observations": 8725,
      "number_observations_unique": 1738,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.1869
        },
        {
          "type": "R(meas)",
          "value": 1.3224
        },
        {
          "type": "R(pim)",
          "value": 0.5697
        },
        {
          "type": "I/SigI",
          "value": 1.66
        },
        {
          "type": "CompletenessSpherical",
          "value": 8.5
        },
        {
          "type": "CompletenessEllipsoidal",
          "value": 45.0
        },
        {
          "type": "Redundancy",
          "value": 5.02
        },
        {
          "type": "CC(1/2)",
          "value": 0.566
        },
        {
          "type": "CompletenessAnoSpherical",
          "value": 8.1
        },
        {
          "type": "CompletenessAnoEllipsoidal",
          "value": 43.4
        },
        {
          "type": "RedundancyAno",
          "value": 2.63
        },
        {
          "type": "CC(ano)",
          "value": 0.034
        },
        {
          "type": "SigAno",
          "value": 0.808
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 74.940 5.379 1.808
High resolution limit [Å] 1.580 4.238 1.580
R(merge) 0.1363 0.0500 1.1869
R(meas) 0.1515 0.0558 1.3224
R(pim) 0.0648 0.0239 0.5697
CC(1/2) 0.997 0.997 0.566
CC(ano) -0.043 -0.119 0.034
|DANO|/σ(DANO) 0.789 0.698 0.808
Completeness (spherical) [%] 55.6 99.3 8.5
Completeness (ellipsoidal) [%] 84.0 99.3 45.0
Multiplicity 5.2 4.9 5.0
Anomalous completeness (spherical) [%] 52.6 95.5 8.1
Anomalous completeness (ellipsoidal) [%] 80.4 95.5 43.4
Anomalous multiplicity 2.8 2.8 2.6


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
74.940-5.379 0.0469 0.0525 0.0228 0.998 0.058 0.673 99.0 99.0 4.8 94.8 94.8 2.9
5.379-4.238 0.0500 0.0558 0.0239 0.997 -0.119 0.698 99.3 99.3 4.9 95.5 95.5 2.8
4.238-3.626 0.0602 0.0676 0.0300 0.996 -0.042 0.778 88.3 88.3 4.6 84.8 84.8 2.5
3.626-3.260 0.0794 0.0889 0.0390 0.995 -0.128 0.810 86.4 86.4 4.9 82.2 82.2 2.7
3.260-3.030 0.1002 0.1130 0.0509 0.993 -0.129 0.793 99.0 99.0 4.7 95.3 95.3 2.6
3.030-2.855 0.1399 0.1573 0.0701 0.985 -0.007 0.810 98.8 98.8 4.8 93.4 93.4 2.6
2.855-2.716 0.1837 0.2060 0.0908 0.979 0.000 0.831 99.5 99.5 6.1 95.4 95.4 2.8
2.716-2.535 0.2390 0.2676 0.1172 0.967 0.009 0.788 61.3 61.3 5.0 57.8 57.8 2.8
2.535-2.439 0.3048 0.3383 0.1435 0.960 -0.016 0.804 93.2 93.2 5.4 89.0 89.0 2.9
2.439-2.355 0.3186 0.3528 0.1482 0.959 0.045 0.811 91.2 91.2 5.5 87.8 87.8 3.0
2.355-2.278 0.3586 0.3951 0.1627 0.960 -0.026 0.823 88.5 88.5 5.7 85.3 85.3 3.0
2.278-2.176 0.4541 0.5033 0.2120 0.930 -0.006 0.794 57.3 57.5 5.3 54.5 54.6 2.8
2.176-2.118 0.5029 0.5551 0.2307 0.919 -0.006 0.804 84.4 89.4 5.7 82.4 86.3 3.0
2.118-2.063 0.5479 0.6120 0.2675 0.888 -0.026 0.802 82.4 93.6 6.1 80.2 90.1 2.7
2.063-2.012 0.6899 0.7639 0.3221 0.846 -0.022 0.777 79.9 96.5 5.4 78.1 93.0 2.9
2.012-1.964 0.8262 0.9104 0.3759 0.787 -0.039 0.783 76.3 96.9 5.6 74.2 92.6 3.0
1.964-1.916 0.8476 0.9313 0.3795 0.783 -0.023 0.776 69.9 95.2 5.8 68.4 91.6 3.0
1.916-1.867 1.1054 1.2123 0.4897 0.665 -0.006 0.792 61.4 93.5 5.8 61.0 91.1 3.0
1.867-1.808 1.2610 1.3832 0.5595 0.606 -0.013 0.800 46.3 84.9 5.8 46.3 84.0 3.0
1.808-1.580 1.1869 1.3224 0.5697 0.566 0.034 0.808 8.5 45.0 5.0 8.1 43.4 2.6