Data quality metrics extracted from 8txj.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": "585cd1de4fbb08efbd5c7960a91d6546",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 39.418,
    "b": 41.207,
    "c": 92.101,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.051,1.400],
    "number_observations_unique": 30290,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.183
      },
      {
        "type": "I/SigI",
        "value": 7.9
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 12.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.424,1.4],
      "number_observations_unique": 1483,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.373
        }
      ]
    }
  ]

}
  

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


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