Data quality metrics extracted from 8cvg.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": "7cb63496b67bfc56f0ba2cfd024e9e65",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.719,
    "b": 79.228,
    "c": 55.822,
    "alpha": 90.000,
    "beta": 111.027,
    "gamma": 90.000
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.56],
    "number_observations_unique": 51478,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.101
      },
      {
        "type": "R(pim)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 32.1
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 7.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.906
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.56],
      "number_observations_unique": 2573,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.561
        },
        {
          "type": "R(pim)",
          "value": 0.249
        },
        {
          "type": "I/SigI",
          "value": 4.0
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.906
        }
      ]
    }
  ]

}
  

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


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