Data quality metrics extracted from 4oq8.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": "17eadb90797663cd382323f62c1d5046",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 172.69,
    "b": 190.30,
    "c": 201.69,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.06000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.35,1.4],
    "number_observations_unique": 613720,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.100
      },
      {
        "type": "I/SigI",
        "value": 11.6
      },
      {
        "type": "Completeness",
        "value": 95.4
      },
      {
        "type": "Redundancy",
        "value": 7.23
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.40],
      "number_observations": 831527,
      "number_observations_unique": 43070,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.354
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 67.3
        },
        {
          "type": "Redundancy",
          "value": 2.17
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.45],
      "number_observations": 705358,
      "number_observations_unique": 61111,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.363
        },
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "Completeness",
          "value": 95.5
        },
        {
          "type": "Redundancy",
          "value": 2.90
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.51],
      "number_observations": 561327,
      "number_observations_unique": 62700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.387
        },
        {
          "type": "I/SigI",
          "value": 3.7
        },
        {
          "type": "Completeness",
          "value": 98.0
        },
        {
          "type": "Redundancy",
          "value": 4.01
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.58],
      "number_observations": 510647,
      "number_observations_unique": 63508,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.419
        },
        {
          "type": "I/SigI",
          "value": 4.1
        },
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 5.74
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.66],
      "number_observations": 483716,
      "number_observations_unique": 63761,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.413
        },
        {
          "type": "I/SigI",
          "value": 4.7
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 7.14
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.76],
      "number_observations": 455293,
      "number_observations_unique": 63596,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.400
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 7.61
        }
      ]
    },
    {
      "resolution_limits": [2.09,1.90],
      "number_observations": 364831,
      "number_observations_unique": 63318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.359
        },
        {
          "type": "I/SigI",
          "value": 6.0
        },
        {
          "type": "Completeness",
          "value": 98.6
        },
        {
          "type": "Redundancy",
          "value": 8.06
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.09],
      "number_observations": 251372,
      "number_observations_unique": 63441,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "I/SigI",
          "value": 7.7
        },
        {
          "type": "Completeness",
          "value": 98.6
        },
        {
          "type": "Redundancy",
          "value": 8.85
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.39],
      "number_observations": 177148,
      "number_observations_unique": 64091,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.146
        },
        {
          "type": "I/SigI",
          "value": 14.2
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "Redundancy",
          "value": 11.01
        }
      ]
    },
    {
      "resolution_limits": [48.35,3.02],
      "number_observations": 93374,
      "number_observations_unique": 65124,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 31.4
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 12.77
        }
      ]
    }
  ]

}
  

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


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