Data quality metrics extracted from 8pie.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": "8b7e2e5e541ab7a0fe44f805ccb06730",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.190,
    "b": 120.313,
    "c": 71.918,
    "alpha": 90.000,
    "beta": 110.154,
    "gamma": 90.000
  },
  "wavelengths": [0.98011],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.68,1.9],
    "number_observations_unique": 67263,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.0552
      },
      {
        "type": "I/SigI",
        "value": 8.61
      },
      {
        "type": "Completeness",
        "value": 98.89
      },
      {
        "type": "Redundancy",
        "value": 7.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.9],
      "number_observations_unique": 6623,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.3295
        },
        {
          "type": "I/SigI",
          "value": 2.57
        },
        {
          "type": "Completeness",
          "value": 98.00
        },
        {
          "type": "Redundancy",
          "value": 7.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.793
        }
      ]
    }
  ]

}
  

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


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