Data quality metrics extracted from 7z77.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": "964672799a216f4c0492f44afe6db631",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.903,
    "b": 63.707,
    "c": 91.956,
    "alpha": 90.00,
    "beta": 101.32,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.17,1.97],
    "number_observations_unique": 29493,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.3
      },
      {
        "type": "Completeness",
        "value": 87.7
      },
      {
        "type": "Redundancy",
        "value": 5.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.231,1.974],
      "number_observations_unique": 1176,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.487
        }
      ]
    }
  ]

}
  

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


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