Data quality metrics extracted from 8da1.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": "b88efda2d89564ff603e135c34757af3",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 148.326,
    "b": 63.862,
    "c": 77.437,
    "alpha": 90.00,
    "beta": 101.57,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,2.67],
    "number_observations_unique": 19031,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.248
      },
      {
        "type": "R(meas)",
        "value": 0.270
      },
      {
        "type": "R(pim)",
        "value": 0.103
      },
      {
        "type": "I/SigI",
        "value": 7.400
      },
      {
        "type": "Completeness",
        "value": 98.700
      },
      {
        "type": "Redundancy",
        "value": 6.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.800,2.700],
      "number_observations_unique": 1846,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.601
        },
        {
          "type": "R(meas)",
          "value": 1.817
        },
        {
          "type": "R(pim)",
          "value": 0.839
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 4.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.306
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.800],
      "number_observations_unique": 1870,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.418
        },
        {
          "type": "R(meas)",
          "value": 1.581
        },
        {
          "type": "R(pim)",
          "value": 0.682
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 5.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.408
        }
      ]
    },
    {
      "resolution_limits": [3.040,2.910],
      "number_observations_unique": 1893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.099
        },
        {
          "type": "R(meas)",
          "value": 1.194
        },
        {
          "type": "R(pim)",
          "value": 0.461
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 6.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.593
        }
      ]
    },
    {
      "resolution_limits": [3.200,3.040],
      "number_observations_unique": 1908,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.837
        },
        {
          "type": "R(meas)",
          "value": 0.899
        },
        {
          "type": "R(pim)",
          "value": 0.326
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 7.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.817
        }
      ]
    },
    {
      "resolution_limits": [3.400,3.200],
      "number_observations_unique": 1896,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.587
        },
        {
          "type": "R(meas)",
          "value": 0.629
        },
        {
          "type": "R(pim)",
          "value": 0.223
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 7.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.900
        }
      ]
    },
    {
      "resolution_limits": [3.660,3.400],
      "number_observations_unique": 1930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.401
        },
        {
          "type": "R(meas)",
          "value": 0.430
        },
        {
          "type": "R(pim)",
          "value": 0.153
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 7.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [4.030,3.660],
      "number_observations_unique": 1906,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.291
        },
        {
          "type": "R(meas)",
          "value": 0.314
        },
        {
          "type": "R(pim)",
          "value": 0.115
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 7.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.945
        }
      ]
    },
    {
      "resolution_limits": [4.610,4.030],
      "number_observations_unique": 1901,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.188
        },
        {
          "type": "R(meas)",
          "value": 0.207
        },
        {
          "type": "R(pim)",
          "value": 0.082
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 6.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    },
    {
      "resolution_limits": [5.800,4.610],
      "number_observations_unique": 1926,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.160
        },
        {
          "type": "R(meas)",
          "value": 0.174
        },
        {
          "type": "R(pim)",
          "value": 0.066
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 7.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [30.000,5.800],
      "number_observations_unique": 1955,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        },
        {
          "type": "R(meas)",
          "value": 0.172
        },
        {
          "type": "R(pim)",
          "value": 0.069
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 6.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 30.000 30.000 2.910
High resolution limit [Å] 2.670 5.800 2.800
R(merge) 0.2480 0.1570 1.4180
R(meas) 0.2700 0.1720 1.5810
R(pim) 0.1030 0.0690 0.6820
CC(1/2) - 0.969 0.408
Completeness [%] 98.7 98.2 97.7
Multiplicity 6.7 6.8 5.1


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
30.000-5.800 0.1570 0.1720 0.0690 0.969 98.2 6.8
5.800-4.610 0.1600 0.1740 0.0660 0.972 98.6 7.4
4.610-4.030 0.1880 0.2070 0.0820 0.956 98.2 6.6
4.030-3.660 0.2910 0.3140 0.1150 0.945 99.0 7.5
3.660-3.400 0.4010 0.4300 0.1530 0.941 99.7 7.8
3.400-3.200 0.5870 0.6290 0.2230 0.900 99.7 7.9
3.200-3.040 0.8370 0.8990 0.3260 0.817 99.7 7.5
3.040-2.910 1.0990 1.1940 0.4610 0.593 98.4 6.4
2.910-2.800 1.4180 1.5810 0.6820 0.408 97.7 5.1
2.800-2.700 1.6010 1.8170 0.8390 0.306 97.3 4.2