Data quality metrics extracted from 7pcz.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": "c9a9bf8afb3b7b03b43bc5e101b036b0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 51.11,
    "b": 68.92,
    "c": 68.45,
    "alpha": 90.00,
    "beta": 104.04,
    "gamma": 90.00
  },
  "wavelengths": [0.99980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.353,1.35],
    "number_observations_unique": 95798,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.045
      },
      {
        "type": "R(pim)",
        "value": 0.021
      },
      {
        "type": "I/SigI",
        "value": 17.67
      },
      {
        "type": "Completeness",
        "value": 94.75
      },
      {
        "type": "Redundancy",
        "value": 5.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.398,1.35],
      "number_observations_unique": 6718,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3782
        },
        {
          "type": "CC(1/2)",
          "value": 0.87
        }
      ]
    }
  ]

}
  

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


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