Data quality metrics extracted from 6zw3.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": "243b3cc153bdccab1eb8f784b7c1428f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 20.95,
    "b": 26.49,
    "c": 38.66,
    "alpha": 106.033,
    "beta": 96.057,
    "gamma": 92.598
  },
  "wavelengths": [1.28300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37,1.52],
    "number_observations_unique": 10572,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.168
      },
      {
        "type": "R(meas)",
        "value": 0.198
      },
      {
        "type": "I/SigI",
        "value": 4.19
      },
      {
        "type": "Completeness",
        "value": 86.7
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.975
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.61,1.52],
      "number_observations_unique": 1353,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.061
        },
        {
          "type": "R(meas)",
          "value": 1.252
        },
        {
          "type": "CC(1/2)",
          "value": 0.652
        }
      ]
    }
  ]

}
  

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


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