Data quality metrics extracted from 4kie.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": "610e04ec5b1c9d4fc8b442fb15d09007",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 73.626,
    "b": 87.818,
    "c": 94.723,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.36,1.70],
    "number_observations_unique": 34026,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 15.7220
      },
      {
        "type": "Completeness",
        "value": 99.80
      },
      {
        "type": "Redundancy",
        "value": 6.14
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.70],
      "number_observations": 30108,
      "number_observations_unique": 4904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.44
        },
        {
          "type": "I/SigI",
          "value": 1.66
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.14
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.79],
      "number_observations": 28732,
      "number_observations_unique": 4663,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27
        },
        {
          "type": "I/SigI",
          "value": 2.74
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.16
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.90],
      "number_observations": 27015,
      "number_observations_unique": 4374,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.16
        },
        {
          "type": "I/SigI",
          "value": 4.28
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.18
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.03],
      "number_observations": 25443,
      "number_observations_unique": 4111,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "I/SigI",
          "value": 6.65
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.19
        }
      ]
    },
    {
      "resolution_limits": [2.40,2.19],
      "number_observations": 23406,
      "number_observations_unique": 3783,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 9.19
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.19
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.40],
      "number_observations": 21230,
      "number_observations_unique": 3417,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 10.12
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.21
        }
      ]
    },
    {
      "resolution_limits": [3.10,2.69],
      "number_observations": 18820,
      "number_observations_unique": 3042,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 8.90
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.19
        }
      ]
    },
    {
      "resolution_limits": [3.80,3.10],
      "number_observations": 15993,
      "number_observations_unique": 2598,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 15.10
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.16
        }
      ]
    },
    {
      "resolution_limits": [5.38,3.80],
      "number_observations": 12248,
      "number_observations_unique": 2030,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 16.07
        },
        {
          "type": "Completeness",
          "value": 99.74
        },
        {
          "type": "Redundancy",
          "value": 6.03
        }
      ]
    },
    {
      "resolution_limits": [47.36,5.38],
      "number_observations": 6088,
      "number_observations_unique": 1104,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 20.63
        },
        {
          "type": "Completeness",
          "value": 94.30
        },
        {
          "type": "Redundancy",
          "value": 5.51
        }
      ]
    }
  ]

}
  

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


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