Data quality metrics extracted from 6wz7.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": "bb7dd4b85a5f60fa8d68230aca29f16b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 140.978,
    "b": 81.847,
    "c": 53.385,
    "alpha": 90.00,
    "beta": 90.04,
    "gamma": 90.00
  },
  "wavelengths": [1.48550],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.3956,2.3],
    "number_observations_unique": 26625,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "R(meas)",
        "value": 0.07543
      },
      {
        "type": "R(pim)",
        "value": 0.0402
      },
      {
        "type": "I/SigI",
        "value": 13.95
      },
      {
        "type": "Completeness",
        "value": 98.27
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.382,2.3],
      "number_observations_unique": 2615,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3441
        },
        {
          "type": "R(meas)",
          "value": 0.41
        },
        {
          "type": "R(pim)",
          "value": 0.2197
        },
        {
          "type": "CC(1/2)",
          "value": 0.863
        }
      ]
    }
  ]

}
  

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


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