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

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "bcd97cec692c85d9199c5aae651b33c3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 41.87,
    "b": 41.21,
    "c": 72.20,
    "alpha": 90.00,
    "beta": 103.85,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.05],
    "number_observations_unique": 217683,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "R(meas)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 10.76
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 6.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.08,1.05],
      "number_observations_unique": 15222,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.033
        },
        {
          "type": "R(meas)",
          "value": 2.338
        },
        {
          "type": "CC(1/2)",
          "value": 0.31
        }
      ]
    },
    {
      "resolution_limits": [1.11,1.08],
      "number_observations_unique": 15771,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.7530000000000001
        },
        {
          "type": "R(meas)",
          "value": 1.921
        },
        {
          "type": "CC(1/2)",
          "value": 0.501
        }
      ]
    },
    {
      "resolution_limits": [1.14,1.11],
      "number_observations_unique": 15293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.32
        },
        {
          "type": "R(meas)",
          "value": 1.442
        },
        {
          "type": "CC(1/2)",
          "value": 0.632
        }
      ]
    },
    {
      "resolution_limits": [1.17,1.14],
      "number_observations_unique": 14928,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.079
        },
        {
          "type": "R(meas)",
          "value": 1.182
        },
        {
          "type": "CC(1/2)",
          "value": 0.7090000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.21,1.17],
      "number_observations_unique": 14430,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8859999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.9670000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.784
        }
      ]
    },
    {
      "resolution_limits": [1.25,1.21],
      "number_observations_unique": 13970,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.731
        },
        {
          "type": "R(meas)",
          "value": 0.792
        },
        {
          "type": "CC(1/2)",
          "value": 0.85
        }
      ]
    },
    {
      "resolution_limits": [1.3,1.25],
      "number_observations_unique": 13478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.585
        },
        {
          "type": "R(meas)",
          "value": 0.634
        },
        {
          "type": "CC(1/2)",
          "value": 0.883
        }
      ]
    },
    {
      "resolution_limits": [1.36,1.30],
      "number_observations_unique": 12926,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.47100000000000003
        },
        {
          "type": "R(meas)",
          "value": 0.511
        },
        {
          "type": "CC(1/2)",
          "value": 0.915
        }
      ]
    },
    {
      "resolution_limits": [1.42,1.36],
      "number_observations_unique": 12486,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.359
        },
        {
          "type": "R(meas)",
          "value": 0.392
        },
        {
          "type": "CC(1/2)",
          "value": 0.945
        }
      ]
    },
    {
      "resolution_limits": [1.48,1.42],
      "number_observations_unique": 11875,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.281
        },
        {
          "type": "R(meas)",
          "value": 0.304
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [1.57,1.48],
      "number_observations_unique": 11269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.20600000000000002
        },
        {
          "type": "R(meas)",
          "value": 0.222
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.57],
      "number_observations_unique": 10701,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.15
        },
        {
          "type": "R(meas)",
          "value": 0.162
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.66],
      "number_observations_unique": 10036,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "R(meas)",
          "value": 0.12300000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.77],
      "number_observations_unique": 9354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08199999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.08900000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [2.1,1.92],
      "number_observations_unique": 8638,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.10],
      "number_observations_unique": 7765,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.35],
      "number_observations_unique": 6821,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040999999999999995
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.32,2.71],
      "number_observations_unique": 5795,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.037000000000000005
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [4.7,3.32],
      "number_observations_unique": 4483,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027000000000000003
        },
        {
          "type": "R(meas)",
          "value": 0.028999999999999998
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.70],
      "number_observations_unique": 2442,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
          "value": 0.024
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 1.110
High resolution limit [Å] 1.050 4.700 1.080
R(merge) 0.0710 0.0230 1.7530
R(meas) 0.0770 0.0240 1.9210
CC(1/2) 0.999 1.000 0.501
Completeness [%] 99.5 - -
Multiplicity 6.3 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2)
50.000-4.700 0.0230 0.0240 1.000
4.700-3.320 0.0270 0.0290 0.999
3.320-2.710 0.0350 0.0370 0.999
2.710-2.350 0.0410 0.0450 0.999
2.350-2.100 0.0490 0.0530 0.998
2.100-1.920 0.0610 0.0660 0.998
1.920-1.770 0.0820 0.0890 0.996
1.770-1.660 0.1130 0.1230 0.994
1.660-1.570 0.1500 0.1620 0.991
1.570-1.480 0.2060 0.2220 0.983
1.480-1.420 0.2810 0.3040 0.970
1.420-1.360 0.3590 0.3920 0.945
1.360-1.300 0.4710 0.5110 0.915
1.300-1.250 0.5850 0.6340 0.883
1.250-1.210 0.7310 0.7920 0.850
1.210-1.170 0.8860 0.9670 0.784
1.170-1.140 1.0790 1.1820 0.709
1.140-1.110 1.3200 1.4420 0.632
1.110-1.080 1.7530 1.9210 0.501
1.080-1.050 2.0330 2.3380 0.310