Data quality metrics extracted from 8i3p.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": "041ed132adcdf4bb686d9e5651fcca76",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 49.175,
    "b": 68.900,
    "c": 49.424,
    "alpha": 90.00,
    "beta": 101.58,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.42,1.18],
    "number_observations": 223856,
    "number_observations_unique": 69899,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.042
      },
      {
        "type": "R(meas)",
        "value": 0.053
      },
      {
        "type": "R(pim)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 9.5
      },
      {
        "type": "Completeness",
        "value": 85.6
      },
      {
        "type": "Redundancy",
        "value": 2.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.18],
      "number_observations": 27029,
      "number_observations_unique": 12501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.262
        },
        {
          "type": "R(meas)",
          "value": 0.344
        },
        {
          "type": "R(pim)",
          "value": 0.220
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Redundancy",
          "value": 2.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.902
        }
      ]
    }
  ]

}
  

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


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