Data quality metrics extracted from 6fio.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": "da355b1dbeaccef9d7c43b318b38f121",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 111.908,
    "b": 111.908,
    "c": 113.288,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97949,1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.460,1.990],
    "number_observations": 557871,
    "number_observations_unique": 29121,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.236
      },
      {
        "type": "R(meas)",
        "value": 0.327
      },
      {
        "type": "I/SigI",
        "value": 8.650
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 19.090
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.090,1.990],
      "number_observations": 6673,
      "number_observations_unique": 411,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.062
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 0.470
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 18.380
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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