Data quality metrics extracted from 6t1z.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": "d84e35508cf0d2f595dfc45c001fe65e",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 104.76,
    "b": 139.99,
    "c": 115.70,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97166],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [83.875,2.90],
    "number_observations_unique": 12755,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.36
      },
      {
        "type": "Completeness",
        "value": 66.4
      },
      {
        "type": "Redundancy",
        "value": 21.0
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.98,2.90],
      "number_observations_unique": 281,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.550
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.90],
      "number_observations_unique": 1303,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.234
        }
      ]
    }
  ]

}
  

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


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