Data quality metrics extracted from 9phm.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": "80ba0eb5b417339d4b55efbf653df9f8",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 67.486,
    "b": 68.579,
    "c": 70.075,
    "alpha": 101.819,
    "beta": 97.761,
    "gamma": 101.015
  },
  "wavelengths": [0.92017],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.453,6.55],
    "number_observations_unique": 1497,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 3.3
      },
      {
        "type": "Completeness",
        "value": 80.5
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.647
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [7.874,6.553],
      "number_observations_unique": 214,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.428
        }
      ]
    },
    {
      "resolution_limits": [67.453,14.372],
      "number_observations_unique": 214,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.577
        }
      ]
    }
  ]

}
  

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


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