Data quality metrics extracted from 7bbl.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": "bfc96541418ce7a5e1fd5babbd0f7ee2",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 59.880,
    "b": 80.597,
    "c": 82.666,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.494,1.521],
    "number_observations_unique": 58263,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06668
      },
      {
        "type": "R(meas)",
        "value": 0.07609
      },
      {
        "type": "R(pim)",
        "value": 0.03546
      },
      {
        "type": "I/SigI",
        "value": 10.83
      },
      {
        "type": "Completeness",
        "value": 93.55
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.576,1.521],
      "number_observations_unique": 4340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7935
        },
        {
          "type": "R(meas)",
          "value": 0.9596
        },
        {
          "type": "R(pim)",
          "value": 0.5227
        },
        {
          "type": "I/SigI",
          "value": 1.03
        },
        {
          "type": "Completeness",
          "value": 70.86
        },
        {
          "type": "Redundancy",
          "value": 2.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.197
        }
      ]
    }
  ]

}
  

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


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