Data quality metrics extracted from 9in1.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": "f1a6caa44870e03396725385154b1449",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 71.045,
    "b": 43.486,
    "c": 74.785,
    "alpha": 90.00,
    "beta": 94.45,
    "gamma": 90.00
  },
  "wavelengths": [1.54184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.46,1.40],
    "number_observations_unique": 85007,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 17.2
      },
      {
        "type": "Completeness",
        "value": 94.4
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.40],
      "number_observations_unique": 3753,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.832
        }
      ]
    }
  ]

}
  

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


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