Data quality metrics extracted from 3kqq.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": "e9d106939ca43b2eab8aabeb46a4c826",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 93.992,
    "b": 93.992,
    "c": 188.858,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.400,2.500],
    "number_observations_unique": 26826,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.117
      },
      {
        "type": "I/SigI",
        "value": 7.300
      },
      {
        "type": "Completeness",
        "value": 89.200
      },
      {
        "type": "Redundancy",
        "value": 5.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.50],
      "number_observations": 11767,
      "number_observations_unique": 2426,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.429
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 82.40
        },
        {
          "type": "Redundancy",
          "value": 4.83
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.59],
      "number_observations": 16437,
      "number_observations_unique": 2777,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.408
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 93.90
        },
        {
          "type": "Redundancy",
          "value": 5.88
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.69],
      "number_observations": 20480,
      "number_observations_unique": 2936,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.359
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 99.80
        },
        {
          "type": "Redundancy",
          "value": 6.94
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.82],
      "number_observations": 20693,
      "number_observations_unique": 2965,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.285
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 6.95
        }
      ]
    },
    {
      "resolution_limits": [3.15,2.96],
      "number_observations": 20580,
      "number_observations_unique": 2949,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.230
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 99.40
        },
        {
          "type": "Redundancy",
          "value": 6.94
        }
      ]
    },
    {
      "resolution_limits": [3.39,3.15],
      "number_observations": 19851,
      "number_observations_unique": 2961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.161
        },
        {
          "type": "I/SigI",
          "value": 7.0
        },
        {
          "type": "Completeness",
          "value": 99.20
        },
        {
          "type": "Redundancy",
          "value": 6.66
        }
      ]
    },
    {
      "resolution_limits": [3.73,3.39],
      "number_observations": 13472,
      "number_observations_unique": 2761,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "I/SigI",
          "value": 8.6
        },
        {
          "type": "Completeness",
          "value": 92.30
        },
        {
          "type": "Redundancy",
          "value": 4.85
        }
      ]
    },
    {
      "resolution_limits": [4.27,3.73],
      "number_observations": 9902,
      "number_observations_unique": 2490,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 10.9
        },
        {
          "type": "Completeness",
          "value": 82.10
        },
        {
          "type": "Redundancy",
          "value": 3.90
        }
      ]
    },
    {
      "resolution_limits": [5.38,4.27],
      "number_observations": 5867,
      "number_observations_unique": 1933,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 13.4
        },
        {
          "type": "Completeness",
          "value": 63.20
        },
        {
          "type": "Redundancy",
          "value": 2.95
        }
      ]
    },
    {
      "resolution_limits": [38.40,5.38],
      "number_observations": 9497,
      "number_observations_unique": 2628,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 32.0
        },
        {
          "type": "Completeness",
          "value": 81.00
        },
        {
          "type": "Redundancy",
          "value": 3.58
        }
      ]
    }
  ]

}
  

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


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