Data quality metrics extracted from 8c4q.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": "1dc09f4e61f4c7505b6feb0caf4aa463",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 42.70,
    "b": 64.52,
    "c": 129.48,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.68880],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.38],
    "number_observations_unique": 72378,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "R(meas)",
        "value": 0.05
      },
      {
        "type": "I/SigI",
        "value": 18.63
      },
      {
        "type": "Completeness",
        "value": 97.1
      },
      {
        "type": "Redundancy",
        "value": 8
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.43,1.38],
      "number_observations_unique": 6764,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.623
        },
        {
          "type": "R(meas)",
          "value": 4.828
        },
        {
          "type": "CC(1/2)",
          "value": 0.354
        }
      ]
    },
    {
      "resolution_limits": [1.49,1.43],
      "number_observations_unique": 6848,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.478
        },
        {
          "type": "R(meas)",
          "value": 3.614
        },
        {
          "type": "CC(1/2)",
          "value": 0.539
        }
      ]
    },
    {
      "resolution_limits": [1.6,1.49],
      "number_observations_unique": 11137,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.81
        },
        {
          "type": "R(meas)",
          "value": 1.8780000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.847
        }
      ]
    },
    {
      "resolution_limits": [8.0,1.60],
      "number_observations_unique": 47189,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.044000000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    },
    {
      "resolution_limits": [14.0,8.00],
      "number_observations_unique": 355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027000000000000003
        },
        {
          "type": "R(meas)",
          "value": 0.027999999999999997
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    },
    {
      "resolution_limits": [17.0,14.00],
      "number_observations_unique": 38,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.027000000000000003
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    },
    {
      "resolution_limits": [50.0,17.00],
      "number_observations_unique": 47,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028999999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.031
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    }
  ]

}
  

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


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