Data quality metrics extracted from 8d7p.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": "7298f70d59efa66c3cf21da3e997ac13",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 48.78,
    "b": 56.74,
    "c": 65.94,
    "alpha": 108.93,
    "beta": 95.63,
    "gamma": 108.69
  },
  "wavelengths": [1.03000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.77,2.25],
    "number_observations_unique": 27457,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.116
      },
      {
        "type": "I/SigI",
        "value": 5.5
      },
      {
        "type": "Completeness",
        "value": 93.7
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.98
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.25],
      "number_observations_unique": 2505,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.312
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.85
        }
      ]
    }
  ]

}
  

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


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