Data quality metrics extracted from 8q1n.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": "fb7ce9ea3a1ca7edc86b02dee7ea0373",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 82.174,
    "b": 82.174,
    "c": 201.707,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.98,1.843],
    "number_observations_unique": 58518,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.05
      },
      {
        "type": "Completeness",
        "value": 96.59
      },
      {
        "type": "Redundancy",
        "value": 26.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.909,1.843],
      "number_observations_unique": 3960,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.26
        },
        {
          "type": "Completeness",
          "value": 66.37
        },
        {
          "type": "CC(1/2)",
          "value": 0.361
        }
      ]
    }
  ]

}
  

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


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