Data quality metrics extracted from 8fit.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": "af2156be3769d3fbb263cc2c13e380dc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.117,
    "b": 45.369,
    "c": 61.803,
    "alpha": 109.269,
    "beta": 94.537,
    "gamma": 104.093
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [57.45,2.75],
    "number_observations_unique": 20087,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "R(pim)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 7.58
      },
      {
        "type": "Completeness",
        "value": 89.39
      },
      {
        "type": "Redundancy",
        "value": 2.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.90,2.75],
      "number_observations_unique": 1563,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.428
        },
        {
          "type": "R(pim)",
          "value": 0.369
        },
        {
          "type": "I/SigI",
          "value": 0.57
        },
        {
          "type": "Completeness",
          "value": 90.08
        },
        {
          "type": "Redundancy",
          "value": 2.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.769
        }
      ]
    }
  ]

}
  

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


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