Data quality metrics extracted from 8f0n.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": "92c571450237a87439b64a6a9904d40c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 30.012,
    "b": 50.353,
    "c": 94.584,
    "alpha": 90.000,
    "beta": 95.703,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [94.12,2.85],
    "number_observations_unique": 6710,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.295
      },
      {
        "type": "R(meas)",
        "value": 0.321
      },
      {
        "type": "R(pim)",
        "value": 0.126
      },
      {
        "type": "I/SigI",
        "value": 2.5
      },
      {
        "type": "Completeness",
        "value": 99.88
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.95,2.85],
      "number_observations_unique": 617,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.186
        },
        {
          "type": "Completeness",
          "value": 90.47
        },
        {
          "type": "Redundancy",
          "value": 5.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.482
        }
      ]
    }
  ]

}
  

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


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