Data quality metrics extracted from 9xmk.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": "462bf27d9267c5ba769c77024aa2e4df",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 78.703,
    "b": 152.275,
    "c": 74.113,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.571,1.54],
    "number_observations_unique": 65908,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.61
      },
      {
        "type": "Completeness",
        "value": 99.73
      },
      {
        "type": "Redundancy",
        "value": 6.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.56,1.54],
      "number_observations_unique": 3566,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.28
        }
      ]
    }
  ]

}
  

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


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