Data quality metrics extracted from 8sjn.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": "9677bfeb4cea96becb278f7690eb9cde",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 163.006,
    "b": 163.006,
    "c": 106.056,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00744],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [84.793,7.299],
    "number_observations_unique": 1102,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.7
      },
      {
        "type": "Completeness",
        "value": 82.1
      },
      {
        "type": "Redundancy",
        "value": 9.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [8.465,7.299],
      "number_observations_unique": 183,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 9.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.305
        }
      ]
    },
    {
      "resolution_limits": [84.793,14.575],
      "number_observations_unique": 184,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 10.2
        },
        {
          "type": "Redundancy",
          "value": 9.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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