Data quality metrics extracted from 8cfn.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": "60b41f5b0da9d53910349ad474715417",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 142.55,
    "b": 85.31,
    "c": 111.41,
    "alpha": 90.00,
    "beta": 122.52,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.66,1.34],
    "number_observations_unique": 251192,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10300000000000001
      },
      {
        "type": "R(meas)",
        "value": 0.11699999999999999
      },
      {
        "type": "I/SigI",
        "value": 8.62
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 4.33
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.34],
      "number_observations_unique": 39682,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.021
        },
        {
          "type": "R(meas)",
          "value": 2.331
        },
        {
          "type": "CC(1/2)",
          "value": 0.263
        }
      ]
    },
    {
      "resolution_limits": [1.52,1.42],
      "number_observations_unique": 38310,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.258
        },
        {
          "type": "R(meas)",
          "value": 1.4280000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.505
        }
      ]
    },
    {
      "resolution_limits": [1.64,1.52],
      "number_observations_unique": 35503,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.727
        },
        {
          "type": "R(meas)",
          "value": 0.828
        },
        {
          "type": "CC(1/2)",
          "value": 0.736
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.64],
      "number_observations_unique": 32846,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.43
        },
        {
          "type": "R(meas)",
          "value": 0.48700000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 0.8909999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.0,1.79],
      "number_observations_unique": 29728,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.22399999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.253
        },
        {
          "type": "CC(1/2)",
          "value": 0.9670000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.00],
      "number_observations_unique": 26267,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11599999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.133
        },
        {
          "type": "CC(1/2)",
          "value": 0.9890000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.31],
      "number_observations_unique": 22166,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.0,2.83],
      "number_observations_unique": 17104,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.044000000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [42.66,4.00],
      "number_observations_unique": 9586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028999999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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