Data quality metrics extracted from 30ks.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "1cf63a3e86401c020c7c82e2cededd72",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.866,
    "b": 168.287,
    "c": 93.236,
    "alpha": 90.0,
    "beta": 95.2,
    "gamma": 90.0
  },
  "wavelengths": [1.64000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.01,1.9],
    "number_observations_unique": 191820,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 12.1
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 6.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2,1.9],
      "number_observations_unique": 27027,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.30
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.75
        }
      ]
    }
  ]

}
  

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


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