Data quality metrics extracted from 6t68.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": "c2f5bb77cabe36c5bc06793e9cb9d80f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 192.878,
    "b": 49.737,
    "c": 41.984,
    "alpha": 90.000,
    "beta": 97.538,
    "gamma": 90.000
  },
  "wavelengths": [1.89000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.14,2.53],
    "number_observations_unique": 12419,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.116
      },
      {
        "type": "R(pim)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 9.3
      },
      {
        "type": "Completeness",
        "value": 93.1
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.65,2.53],
      "number_observations_unique": 975,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.365
        },
        {
          "type": "Completeness",
          "value": 60
        },
        {
          "type": "CC(1/2)",
          "value": 0.303
        }
      ]
    }
  ]

}
  

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


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