Data quality metrics extracted from 8bcq.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": "4b34a4c8f8397d27110739f428533bd2",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 129.979,
    "b": 88.683,
    "c": 169.284,
    "alpha": 90.00,
    "beta": 106.13,
    "gamma": 90.00
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.16,2.70],
    "number_observations_unique": 50722,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07188
      },
      {
        "type": "R(meas)",
        "value": 0.07767
      },
      {
        "type": "R(pim)",
        "value": 0.02919
      },
      {
        "type": "I/SigI",
        "value": 14.81
      },
      {
        "type": "Completeness",
        "value": 99.69
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.799,2.703],
      "number_observations_unique": 4911,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.181
        },
        {
          "type": "R(meas)",
          "value": 1.277
        },
        {
          "type": "R(pim)",
          "value": 0.4809
        },
        {
          "type": "I/SigI",
          "value": 1.47
        },
        {
          "type": "Completeness",
          "value": 97.73
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.759
        }
      ]
    }
  ]

}
  

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


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