Data quality metrics extracted from 8pri.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": "85a071be592717309151f70ef44cb712",
  "space_group_name": "I 4",
  "unit_cell": {
    "a": 63.713,
    "b": 63.713,
    "c": 37.838,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.87313],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.53,2.10],
    "number_observations": 28586,
    "number_observations_unique": 4516,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.231
      },
      {
        "type": "R(meas)",
        "value": 0.253
      },
      {
        "type": "R(pim)",
        "value": 0.101
      },
      {
        "type": "I/SigI",
        "value": 8.4
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 6.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.16,2.10],
      "number_observations": 2317,
      "number_observations_unique": 354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.799
        },
        {
          "type": "R(meas)",
          "value": 0.869
        },
        {
          "type": "R(pim)",
          "value": 0.339
        },
        {
          "type": "I/SigI",
          "value": 3.7
        },
        {
          "type": "Redundancy",
          "value": 6.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.897
        }
      ]
    }
  ]

}
  

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


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