Data quality metrics extracted from 9ma6.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": "acbd08f9f3e0e0b1a7945a2dda70c11a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.614,
    "b": 53.606,
    "c": 115.504,
    "alpha": 90.0,
    "beta": 101.4,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.35],
    "number_observations_unique": 22740,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.4
      },
      {
        "type": "Completeness",
        "value": 90.2
      },
      {
        "type": "Redundancy",
        "value": 3.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.43,2.35],
      "number_observations_unique": 22740,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.807
        }
      ]
    }
  ]

}
  

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


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