Data quality metrics extracted from 9k9y.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "daadf7ec721b1c4e0deb88b4623a33e8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 57.41,
    "b": 131.65,
    "c": 83.16,
    "alpha": 90.00,
    "beta": 93.32,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [57.31,2.89],
    "number_observations_unique": 53213,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.145
      },
      {
        "type": "I/SigI",
        "value": 10.4
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 6.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.99,2.89],
      "number_observations_unique": 53213,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        }
      ]
    }
  ]

}
  

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


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