Data quality metrics extracted from 8xx0.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": "5157da62d89915bba3e58246fc945c20",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 282.05,
    "b": 86.09,
    "c": 56.06,
    "alpha": 90.00,
    "beta": 97.19,
    "gamma": 90.00
  },
  "wavelengths": [0.99999],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.6,2.9],
    "number_observations_unique": 29738,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.466
      },
      {
        "type": "I/SigI",
        "value": 17.77
      },
      {
        "type": "Completeness",
        "value": 99.85
      },
      {
        "type": "Redundancy",
        "value": 63.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.0,2.9],
      "number_observations_unique": 2956,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 2.584
        },
        {
          "type": "I/SigI",
          "value": 2.93
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 65.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.898
        }
      ]
    }
  ]

}
  

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


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