Data quality metrics extracted from 9g2g.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": "af3f58967b12ed4ee4204d74121a9697",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.600,
    "b": 50.873,
    "c": 52.083,
    "alpha": 67.502,
    "beta": 79.804,
    "gamma": 85.349
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.9961366314,1.80048236056],
    "number_observations_unique": 34576,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.55
      },
      {
        "type": "Completeness",
        "value": 78.8
      },
      {
        "type": "Redundancy",
        "value": 2.65
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.91,1.80048236056],
      "number_observations_unique": 2227,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.78
        },
        {
          "type": "Completeness",
          "value": 34.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.917
        }
      ]
    }
  ]

}
  

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


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