Data quality metrics extracted from 7llh.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": "0c04ed2070edd76b7644e95ad84c1d68",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 34.609,
    "b": 37.123,
    "c": 83.655,
    "alpha": 88.118,
    "beta": 88.375,
    "gamma": 85.479
  },
  "wavelengths": [0.97648],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.99,2.1],
    "number_observations_unique": 23701,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.02966
      },
      {
        "type": "I/SigI",
        "value": 18.5
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 2.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.176,2.1],
      "number_observations_unique": 2374,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "Completeness",
          "value": 97.14
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    }
  ]

}
  

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


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