Data quality metrics extracted from 8sp9.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": "c359adfe771bce80bd348dd69d8d8bf6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 76.429,
    "b": 28.359,
    "c": 113.111,
    "alpha": 90.000,
    "beta": 92.014,
    "gamma": 90.000
  },
  "wavelengths": [0.97850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.7,2.9],
    "number_observations_unique": 9250,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.094
      },
      {
        "type": "I/SigI",
        "value": 5.74
      },
      {
        "type": "Completeness",
        "value": 83.3
      },
      {
        "type": "Redundancy",
        "value": 2.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.97,2.92],
      "number_observations_unique": 232,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.401
        }
      ]
    }
  ]

}
  

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


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