Data quality metrics extracted from 8k6c.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": "fd568315440b4d014b2d7dcf957f1067",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.859,
    "b": 107.074,
    "c": 54.261,
    "alpha": 90.000,
    "beta": 103.666,
    "gamma": 90.000
  },
  "wavelengths": [1.54100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.56,2.21],
    "number_observations_unique": 27130,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1172
      },
      {
        "type": "R(meas)",
        "value": 0.1289
      },
      {
        "type": "R(pim)",
        "value": 0.05306
      },
      {
        "type": "I/SigI",
        "value": 16.83
      },
      {
        "type": "Completeness",
        "value": 99.77
      },
      {
        "type": "Redundancy",
        "value": 5.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.289,2.21],
      "number_observations_unique": 2692,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3458
        },
        {
          "type": "R(meas)",
          "value": 0.3775
        },
        {
          "type": "R(pim)",
          "value": 0.1502
        },
        {
          "type": "I/SigI",
          "value": 4.56
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 6.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.914
        }
      ]
    }
  ]

}
  

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


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