Data quality metrics extracted from 7ux7.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": "1eb4b6d6b8bba90aafcace6ed8efac41",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 60.694,
    "b": 86.334,
    "c": 134.504,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [72.655,1.139],
    "number_observations": 7017400,
    "number_observations_unique": 214260,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1430
      },
      {
        "type": "R(meas)",
        "value": 0.1452
      },
      {
        "type": "R(pim)",
        "value": 0.0248
      },
      {
        "type": "I/SigI",
        "value": 15.13
      },
      {
        "type": "Completeness",
        "value": 89.6
      },
      {
        "type": "Redundancy",
        "value": 32.75
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.204,1.139],
      "number_observations": 247895,
      "number_observations_unique": 10668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.5681
        },
        {
          "type": "R(meas)",
          "value": 1.6026
        },
        {
          "type": "R(pim)",
          "value": 0.3222
        },
        {
          "type": "I/SigI",
          "value": 2.17
        },
        {
          "type": "Completeness",
          "value": 42.5
        },
        {
          "type": "Redundancy",
          "value": 23.24
        },
        {
          "type": "CC(1/2)",
          "value": 0.727
        }
      ]
    }
  ]

}
  

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


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