Data quality metrics extracted from 8fi5.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": "f092864c6bcb0dc4169f23cb77b0c77a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 59.499,
    "b": 90.238,
    "c": 92.523,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.67,2.25],
    "number_observations": 221517,
    "number_observations_unique": 24336,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.105
      },
      {
        "type": "R(meas)",
        "value": 0.112
      },
      {
        "type": "R(pim)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 12.0
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 9.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.25],
      "number_observations": 18921,
      "number_observations_unique": 2184,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.225
        },
        {
          "type": "R(meas)",
          "value": 1.303
        },
        {
          "type": "R(pim)",
          "value": 0.438
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Redundancy",
          "value": 8.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.715
        }
      ]
    }
  ]

}
  

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


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