Data quality metrics extracted from 117e.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": "25490c7d33a73ff62ec2b1a0f50bffa1",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 58.4,
    "b": 102.8,
    "c": 116.7,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.89100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,2.15],
    "number_observations_unique": 36385,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0860000
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 88.9
      },
      {
        "type": "Redundancy",
        "value": 6.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.19,2.15],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.0
        }
      ]
    }
  ]

}
  

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


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