Data quality metrics extracted from 9naz.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": "625d82d31ced1ed08dbcbe0eb416b67e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.755,
    "b": 68.728,
    "c": 138.245,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [68.73,2.3],
    "number_observations_unique": 29237,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.14449
      },
      {
        "type": "R(meas)",
        "value": 0.1512
      },
      {
        "type": "R(pim)",
        "value": 0.04248
      },
      {
        "type": "I/SigI",
        "value": 10.19
      },
      {
        "type": "Completeness",
        "value": 99.45
      },
      {
        "type": "Redundancy",
        "value": 11.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.382,2.3],
      "number_observations_unique": 2803,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.4845
        },
        {
          "type": "I/SigI",
          "value": 1.16
        },
        {
          "type": "Completeness",
          "value": 97.67
        },
        {
          "type": "CC(1/2)",
          "value": 0.816
        }
      ]
    }
  ]

}
  

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


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