Data quality metrics extracted from 8sji.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": "88361084501b11525828aedbe0f85aa5",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 95.06,
    "b": 77.43,
    "c": 47.44,
    "alpha": 90.000,
    "beta": 106.584,
    "gamma": 90.000
  },
  "wavelengths": [1.12700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.74,1.5],
    "number_observations_unique": 48231,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04643
      },
      {
        "type": "R(meas)",
        "value": 0.05321
      },
      {
        "type": "R(pim)",
        "value": 0.02564
      },
      {
        "type": "I/SigI",
        "value": 14.10
      },
      {
        "type": "Completeness",
        "value": 92.11
      },
      {
        "type": "Redundancy",
        "value": 4.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.557,1.5],
      "number_observations_unique": 4669,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6099
        },
        {
          "type": "R(meas)",
          "value": 0.7043
        },
        {
          "type": "R(pim)",
          "value": 0.3467
        },
        {
          "type": "I/SigI",
          "value": 2.33
        },
        {
          "type": "Completeness",
          "value": 89.56
        },
        {
          "type": "Redundancy",
          "value": 4.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.705
        }
      ]
    }
  ]

}
  

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


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