Data quality metrics extracted from 8pnj.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": "1f673dc48b3e49abcfb049b33888735b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.608,
    "b": 105.344,
    "c": 55.776,
    "alpha": 90.000,
    "beta": 112.484,
    "gamma": 90.000
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.336,2.35],
    "number_observations_unique": 20939,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.1
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.959
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.44,2.35],
      "number_observations_unique": 1801,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 85.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.475
        }
      ]
    }
  ]

}
  

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


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