Data quality metrics extracted from 8ccu.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": "4f54799dd263c834d046d36ee6ec682e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 33.081,
    "b": 79.031,
    "c": 90.584,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.60],
    "number_observations_unique": 32051,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.115
      },
      {
        "type": "R(meas)",
        "value": 0.126
      },
      {
        "type": "I/SigI",
        "value": 10.65
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 5.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.7,1.60],
      "number_observations_unique": 4938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9440000000000001
        },
        {
          "type": "R(meas)",
          "value": 1.11
        },
        {
          "type": "Completeness",
          "value": 96.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.48200000000000004
        }
      ]
    },
    {
      "resolution_limits": [1.81,1.70],
      "number_observations_unique": 4827,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6709999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.737
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.8009999999999999
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.81],
      "number_observations_unique": 4505,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.409
        },
        {
          "type": "R(meas)",
          "value": 0.444
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.932
        }
      ]
    },
    {
      "resolution_limits": [2.14,1.96],
      "number_observations_unique": 4160,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23399999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.255
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.9740000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.4,2.14],
      "number_observations_unique": 3785,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.16
        },
        {
          "type": "R(meas)",
          "value": 0.17300000000000001
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.40],
      "number_observations_unique": 3365,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11599999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.126
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.38,2.77],
      "number_observations_unique": 2856,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.77,3.38],
      "number_observations_unique": 2274,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.77],
      "number_observations_unique": 1341,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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