Data quality metrics extracted from 8cfe.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": "0b1afd3d8d6937083d86d1a445117f1c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 175.13,
    "b": 104.08,
    "c": 107.90,
    "alpha": 90.00,
    "beta": 100.65,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.4,1.8],
    "number_observations_unique": 173218,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.109
      },
      {
        "type": "R(meas)",
        "value": 0.124
      },
      {
        "type": "I/SigI",
        "value": 9.46
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 4.46
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.91,1.80],
      "number_observations_unique": 27182,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.273
        },
        {
          "type": "R(meas)",
          "value": 1.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.42100000000000004
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.91],
      "number_observations_unique": 26424,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.75
        },
        {
          "type": "R(meas)",
          "value": 0.8490000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.7170000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.21,2.05],
      "number_observations_unique": 24598,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.433
        },
        {
          "type": "R(meas)",
          "value": 0.493
        },
        {
          "type": "CC(1/2)",
          "value": 0.85
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.21],
      "number_observations_unique": 22649,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.265
        },
        {
          "type": "R(meas)",
          "value": 0.303
        },
        {
          "type": "CC(1/2)",
          "value": 0.9359999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.7,2.42],
      "number_observations_unique": 20464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "R(meas)",
          "value": 0.19399999999999998
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.70],
      "number_observations_unique": 18115,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "R(meas)",
          "value": 0.11900000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [3.82,3.12],
      "number_observations_unique": 15282,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [5.39,3.82],
      "number_observations_unique": 11814,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040999999999999995
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [49.4,5.39],
      "number_observations_unique": 6690,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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