Data quality metrics extracted from 7di8.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": "8a2ea19226fe974989ad5a5f7a8c19ab",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 69.98,
    "b": 174.02,
    "c": 199.45,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.01970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [131.126,3.000],
    "number_observations": 1783075,
    "number_observations_unique": 40941,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 1.159
      },
      {
        "type": "R(meas)",
        "value": 1.173
      },
      {
        "type": "I/SigI",
        "value": 3.790
      },
      {
        "type": "Completeness",
        "value": 82.300
      },
      {
        "type": "Redundancy",
        "value": 43.552
      },
      {
        "type": "CC(1/2)",
        "value": 0.688
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.180,3.000],
      "number_observations": 275487,
      "number_observations_unique": 6529,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.786
        },
        {
          "type": "R(meas)",
          "value": 1.808
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 82.700
        },
        {
          "type": "Redundancy",
          "value": 42.194
        },
        {
          "type": "CC(1/2)",
          "value": 0.185
        }
      ]
    },
    {
      "resolution_limits": [3.400,3.180],
      "number_observations": 267898,
      "number_observations_unique": 6144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.537
        },
        {
          "type": "R(meas)",
          "value": 1.556
        },
        {
          "type": "I/SigI",
          "value": 2.380
        },
        {
          "type": "Completeness",
          "value": 82.600
        },
        {
          "type": "Redundancy",
          "value": 43.603
        },
        {
          "type": "CC(1/2)",
          "value": 0.269
        }
      ]
    },
    {
      "resolution_limits": [3.670,3.400],
      "number_observations": 252335,
      "number_observations_unique": 5727,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.298
        },
        {
          "type": "R(meas)",
          "value": 1.313
        },
        {
          "type": "I/SigI",
          "value": 2.990
        },
        {
          "type": "Completeness",
          "value": 82.600
        },
        {
          "type": "Redundancy",
          "value": 44.061
        },
        {
          "type": "CC(1/2)",
          "value": 0.459
        }
      ]
    },
    {
      "resolution_limits": [4.020,3.670],
      "number_observations": 232638,
      "number_observations_unique": 5295,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.078
        },
        {
          "type": "R(meas)",
          "value": 1.091
        },
        {
          "type": "I/SigI",
          "value": 3.870
        },
        {
          "type": "Completeness",
          "value": 82.300
        },
        {
          "type": "Redundancy",
          "value": 43.935
        },
        {
          "type": "CC(1/2)",
          "value": 0.607
        }
      ]
    },
    {
      "resolution_limits": [4.500,4.020],
      "number_observations": 215488,
      "number_observations_unique": 4866,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.915
        },
        {
          "type": "R(meas)",
          "value": 0.926
        },
        {
          "type": "I/SigI",
          "value": 4.960
        },
        {
          "type": "Completeness",
          "value": 82.100
        },
        {
          "type": "Redundancy",
          "value": 44.284
        },
        {
          "type": "CC(1/2)",
          "value": 0.696
        }
      ]
    },
    {
      "resolution_limits": [5.200,4.500],
      "number_observations": 190733,
      "number_observations_unique": 4292,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.824
        },
        {
          "type": "R(meas)",
          "value": 0.834
        },
        {
          "type": "I/SigI",
          "value": 5.680
        },
        {
          "type": "Completeness",
          "value": 82.400
        },
        {
          "type": "Redundancy",
          "value": 44.439
        },
        {
          "type": "CC(1/2)",
          "value": 0.756
        }
      ]
    },
    {
      "resolution_limits": [6.360,5.200],
      "number_observations": 158886,
      "number_observations_unique": 3616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.932
        },
        {
          "type": "R(meas)",
          "value": 0.943
        },
        {
          "type": "I/SigI",
          "value": 4.680
        },
        {
          "type": "Completeness",
          "value": 82.200
        },
        {
          "type": "Redundancy",
          "value": 43.940
        },
        {
          "type": "CC(1/2)",
          "value": 0.672
        }
      ]
    },
    {
      "resolution_limits": [9.000,6.360],
      "number_observations": 122357,
      "number_observations_unique": 2831,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.926
        },
        {
          "type": "R(meas)",
          "value": 0.937
        },
        {
          "type": "I/SigI",
          "value": 4.570
        },
        {
          "type": "Completeness",
          "value": 81.400
        },
        {
          "type": "Redundancy",
          "value": 43.220
        },
        {
          "type": "CC(1/2)",
          "value": 0.652
        }
      ]
    },
    {
      "resolution_limits": [131.126,9.000],
      "number_observations": 67253,
      "number_observations_unique": 1641,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.557
        },
        {
          "type": "R(meas)",
          "value": 0.566
        },
        {
          "type": "I/SigI",
          "value": 7.540
        },
        {
          "type": "Completeness",
          "value": 80.800
        },
        {
          "type": "Redundancy",
          "value": 40.983
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 131.126 131.126 3.400
High resolution limit [Å] 3.000 9.000 3.180
R(merge) 1.1590 0.5570 1.5370
R(meas) 1.1730 0.5660 1.5560
CC(1/2) 0.688 0.941 0.269
Completeness [%] 82.3 80.8 82.6
Multiplicity 43.6 41.0 43.6


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
131.126-9.000 0.5570 0.5660 0.941 80.8 41.0
9.000-6.360 0.9260 0.9370 0.652 81.4 43.2
6.360-5.200 0.9320 0.9430 0.672 82.2 43.9
5.200-4.500 0.8240 0.8340 0.756 82.4 44.4
4.500-4.020 0.9150 0.9260 0.696 82.1 44.3
4.020-3.670 1.0780 1.0910 0.607 82.3 43.9
3.670-3.400 1.2980 1.3130 0.459 82.6 45.1
3.400-3.180 1.5370 1.5560 0.269 82.6 43.6
3.180-3.000 1.7860 1.8080 0.185 82.7 42.2