Data quality metrics extracted from 5xrz.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": "8265bcb3689b15f6c08dbdced43ba23f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 67.621,
    "b": 101.420,
    "c": 101.710,
    "alpha": 91.89,
    "beta": 108.68,
    "gamma": 108.17
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [95.3,3.6],
    "number_observations_unique": 27023,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.103
      },
      {
        "type": "R(meas)",
        "value": 0.145
      },
      {
        "type": "R(pim)",
        "value": 0.103
      },
      {
        "type": "I/SigI",
        "value": 7.5
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.972
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.7,3.6],
      "number_observations_unique": 4412,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.400
        },
        {
          "type": "R(meas)",
          "value": 0.565
        },
        {
          "type": "R(pim)",
          "value": 0.400
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 97.1
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.597
        }
      ]
    }
  ]

}
  

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


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