Data quality metrics extracted from 5xif.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": "5f961d9b2268cba1cf5e4f509e5b6ed8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 76.68,
    "b": 86.43,
    "c": 97.16,
    "alpha": 90.00,
    "beta": 106.46,
    "gamma": 90.00
  },
  "wavelengths": [0.95373],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.41,2.480],
    "number_observations_unique": 42796,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.159
      },
      {
        "type": "R(pim)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 13.600
      },
      {
        "type": "Completeness",
        "value": 99.000
      },
      {
        "type": "Redundancy",
        "value": 8.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.570,2.480],
      "number_observations_unique": 4075,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.495
        },
        {
          "type": "R(pim)",
          "value": 0.517
        },
        {
          "type": "Completeness",
          "value": 95.900
        },
        {
          "type": "Redundancy",
          "value": 8.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.575
        }
      ]
    }
  ]

}
  

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


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