Data quality metrics extracted from 8dc1.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": "89b00e2b3c1ef1c8733fb84679abe693",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 44.141,
    "b": 74.862,
    "c": 113.470,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.22,1.62],
    "number_observations_unique": 48588,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.171
      },
      {
        "type": "R(meas)",
        "value": 0.184
      },
      {
        "type": "R(pim)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 21.9
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 31.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.65,1.62],
      "number_observations_unique": 2223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.786
        },
        {
          "type": "R(meas)",
          "value": 2.858
        },
        {
          "type": "R(pim)",
          "value": 0.619
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 94.7
        },
        {
          "type": "Redundancy",
          "value": 20.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.524
        }
      ]
    }
  ]

}
  

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


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