Data quality metrics extracted from 8pmr.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": "66d7a93ef328553ff81d572861e3563a",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 65.897,
    "b": 65.897,
    "c": 488.199,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.32,1.94],
    "number_observations_unique": 85149,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0759
      },
      {
        "type": "R(pim)",
        "value": 0.02293
      },
      {
        "type": "I/SigI",
        "value": 18.85
      },
      {
        "type": "Completeness",
        "value": 96.35
      },
      {
        "type": "Redundancy",
        "value": 11.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.012,1.94],
      "number_observations_unique": 6421,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.11
        },
        {
          "type": "R(pim)",
          "value": 0.885
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.275
        }
      ]
    }
  ]

}
  

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


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