Data quality metrics extracted from 9nhu.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": "b32ce21138a865852668c08c0f0c85a2",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.790,
    "b": 68.216,
    "c": 137.873,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.14,2.1],
    "number_observations_unique": 38102,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.0982
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 97.93
      },
      {
        "type": "Redundancy",
        "value": 13.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.984
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.175,2.1],
      "number_observations_unique": 3739,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.643
        },
        {
          "type": "R(pim)",
          "value": 1.278
        },
        {
          "type": "I/SigI",
          "value": 0.41
        },
        {
          "type": "Completeness",
          "value": 87.89
        },
        {
          "type": "CC(1/2)",
          "value": 0.361
        }
      ]
    }
  ]

}
  

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


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