Data quality metrics extracted from 6zq9.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": "bae1a1f1eb6ee87012179e3ec7342756",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 21.00,
    "b": 25.93,
    "c": 38.53,
    "alpha": 105.088,
    "beta": 96.628,
    "gamma": 91.952
  },
  "wavelengths": [1.28300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37,1.50],
    "number_observations_unique": 11141,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 6.88
      },
      {
        "type": "Completeness",
        "value": 89.4
      },
      {
        "type": "Redundancy",
        "value": 3.54
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.50],
      "number_observations_unique": 6035,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.967
        },
        {
          "type": "I/SigI",
          "value": 0.89
        },
        {
          "type": "Completeness",
          "value": 86.3
        },
        {
          "type": "Redundancy",
          "value": 3.51
        },
        {
          "type": "CC(1/2)",
          "value": 0.797
        }
      ]
    }
  ]

}
  

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


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