Data quality metrics extracted from 8cfd.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": "02c0943f3adccf17ad66640e8e0d7337",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 178.76,
    "b": 105.14,
    "c": 108.25,
    "alpha": 90.00,
    "beta": 99.71,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.48,1.88],
    "number_observations_unique": 156983,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.13
      },
      {
        "type": "R(meas)",
        "value": 0.147
      },
      {
        "type": "I/SigI",
        "value": 8.29
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 4.42
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.0,1.88],
      "number_observations_unique": 23535,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.7480000000000002
        },
        {
          "type": "R(meas)",
          "value": 1.9769999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.457
        }
      ]
    },
    {
      "resolution_limits": [2.13,2.00],
      "number_observations_unique": 24131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.985
        },
        {
          "type": "R(meas)",
          "value": 1.112
        },
        {
          "type": "CC(1/2)",
          "value": 0.7
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.13],
      "number_observations_unique": 22448,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.546
        },
        {
          "type": "R(meas)",
          "value": 0.621
        },
        {
          "type": "CC(1/2)",
          "value": 0.86
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.31],
      "number_observations_unique": 20687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32299999999999995
        },
        {
          "type": "R(meas)",
          "value": 0.366
        },
        {
          "type": "CC(1/2)",
          "value": 0.943
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.52],
      "number_observations_unique": 18742,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2
        },
        {
          "type": "R(meas)",
          "value": 0.225
        },
        {
          "type": "CC(1/2)",
          "value": 0.9790000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.26,2.82],
      "number_observations_unique": 16541,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11800000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.134
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.98,3.26],
      "number_observations_unique": 13934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [5.62,3.98],
      "number_observations_unique": 10837,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.052000000000000005
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [49.48,5.62],
      "number_observations_unique": 6128,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036000000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.040999999999999995
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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