Data quality metrics extracted from 6zip.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": "f1c2f65de8b8512f3f802d21b8a5a292",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 76.873,
    "b": 94.838,
    "c": 116.106,
    "alpha": 90.212,
    "beta": 90.241,
    "gamma": 91.456
  },
  "wavelengths": [0.86100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.05],
    "number_observations_unique": 200840,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 7.09
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 2.67
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,2.05],
      "number_observations_unique": 14801,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.72
        },
        {
          "type": "I/SigI",
          "value": 1.28
        },
        {
          "type": "Completeness",
          "value": 97.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.69
        }
      ]
    }
  ]

}
  

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


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