Data quality metrics extracted from 6xxr.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": "e5293ccbd418dedece641f5ece3a85d1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 34.74,
    "b": 43.19,
    "c": 44.01,
    "alpha": 61.038,
    "beta": 84.196,
    "gamma": 84.210
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.44,1.48],
    "number_observations_unique": 35565,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.221
      },
      {
        "type": "I/SigI",
        "value": 3.86
      },
      {
        "type": "Completeness",
        "value": 95.7
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.984
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.48],
      "number_observations_unique": 18406,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.58
        },
        {
          "type": "Completeness",
          "value": 93.5
        },
        {
          "type": "Redundancy",
          "value": 2.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.376
        }
      ]
    }
  ]

}
  

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


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