Data quality metrics extracted from 8di7.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": "f590b4f4d89238bcd511f1efc77d989d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 55.939,
    "b": 75.374,
    "c": 97.552,
    "alpha": 81.19,
    "beta": 87.84,
    "gamma": 69.51
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.04,1.89],
    "number_observations_unique": 113721,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 1.0
      },
      {
        "type": "Completeness",
        "value": 96.2600
      },
      {
        "type": "Redundancy",
        "value": 20.0
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.958,1.89],
      "number_observations_unique": 11281,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2667
        },
        {
          "type": "R(meas)",
          "value": 0.3372
        },
        {
          "type": "R(pim)",
          "value": 0.202
        },
        {
          "type": "Completeness",
          "value": 94.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.96
        }
      ]
    }
  ]

}
  

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


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