Data quality metrics extracted from 4k0y.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": "7a0c3073e97566a035d8ea58976726e0",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 96.830,
    "b": 96.830,
    "c": 80.716,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.716,1.954],
    "number_observations_unique": 30709,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.047
      },
      {
        "type": "I/SigI",
        "value": 32.0
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 10.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.060,1.954],
      "number_observations": 22987,
      "number_observations_unique": 4042,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.554
        },
        {
          "type": "I/SigI",
          "value": 1.40
        },
        {
          "type": "Completeness",
          "value": 89.6
        },
        {
          "type": "Redundancy",
          "value": 5.70
        }
      ]
    },
    {
      "resolution_limits": [2.180,2.060],
      "number_observations": 37772,
      "number_observations_unique": 4267,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.321
        },
        {
          "type": "I/SigI",
          "value": 2.50
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 8.90
        }
      ]
    },
    {
      "resolution_limits": [2.340,2.180],
      "number_observations": 41811,
      "number_observations_unique": 4030,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "I/SigI",
          "value": 2.80
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 10.40
        }
      ]
    },
    {
      "resolution_limits": [2.520,2.340],
      "number_observations": 41415,
      "number_observations_unique": 3762,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "I/SigI",
          "value": 5.40
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.00
        }
      ]
    },
    {
      "resolution_limits": [2.760,2.520],
      "number_observations": 38358,
      "number_observations_unique": 3478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 7.40
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.00
        }
      ]
    },
    {
      "resolution_limits": [3.090,2.760],
      "number_observations": 35165,
      "number_observations_unique": 3142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 12.70
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.20
        }
      ]
    },
    {
      "resolution_limits": [3.570,3.090],
      "number_observations": 30923,
      "number_observations_unique": 2770,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 21.40
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.20
        }
      ]
    },
    {
      "resolution_limits": [4.370,3.570],
      "number_observations": 25783,
      "number_observations_unique": 2354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 29.00
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.00
        }
      ]
    },
    {
      "resolution_limits": [6.180,4.370],
      "number_observations": 20414,
      "number_observations_unique": 1827,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 33.80
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.20
        }
      ]
    },
    {
      "resolution_limits": [80.716,6.180],
      "number_observations": 11073,
      "number_observations_unique": 1037,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.017
        },
        {
          "type": "I/SigI",
          "value": 36.50
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 10.70
        }
      ]
    }
  ]

}
  

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


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