Data quality metrics extracted from 8p8y.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": "eb2f01b6e09987149c7b42e10153039c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.31,
    "b": 67.25,
    "c": 39.96,
    "alpha": 90.00,
    "beta": 93.16,
    "gamma": 90.00
  },
  "wavelengths": [8.50000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.90,1.16],
    "number_observations_unique": 71681,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "R(meas)",
        "value": 0.073
      },
      {
        "type": "R(pim)",
        "value": 0.018
      },
      {
        "type": "I/SigI",
        "value": 19.1
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 16.6
      },
      {
        "type": "CC(1/2)",
        "value": 1.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.19,1.16],
      "number_observations_unique": 5252,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.147
        },
        {
          "type": "R(meas)",
          "value": 1.184
        },
        {
          "type": "R(pim)",
          "value": 0.287
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 16.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.819
        }
      ]
    }
  ]

}
  

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


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