Data quality metrics extracted from 4p5i.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": "fd0a9854e33c190c7b4287ec2ba3ea8f",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 76.25,
    "b": 76.25,
    "c": 281.94,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.95410,1.03460,1.04030,1.02670],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.286,2.100],
    "number_observations_unique": 29375,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05300
      },
      {
        "type": "I/SigI",
        "value": 26.7000
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 13.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,2.10],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.57700
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 13.90
        }
      ]
    }
  ]

}
  

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


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