Data quality metrics extracted from 8sjr.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": "224415592f4f6bc3fc0762824acae364",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 170.214,
    "b": 170.214,
    "c": 80.252,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00744],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [85.107,5.25],
    "number_observations_unique": 3630,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.7
      },
      {
        "type": "Completeness",
        "value": 81.0
      },
      {
        "type": "Redundancy",
        "value": 9.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.903
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [6.079,5.253],
      "number_observations_unique": 205,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 6.166
        },
        {
          "type": "I/SigI",
          "value": 15.1
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 10.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.886
        }
      ]
    },
    {
      "resolution_limits": [85.107,13.159],
      "number_observations_unique": 206,
      "quality_factors": [
        {
          "type": "Redundancy",
          "value": 9.2
        }
      ]
    }
  ]

}
  

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


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