Data quality metrics extracted from 7pux.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": "a55c69fd4f0490cce13b71e02b349a62",
  "space_group_name": "P 6 2 2",
  "unit_cell": {
    "a": 146.234,
    "b": 146.234,
    "c": 84.397,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.87,1.730],
    "number_observations_unique": 42850,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.137
      },
      {
        "type": "R(meas)",
        "value": 0.140
      },
      {
        "type": "R(pim)",
        "value": 0.027
      },
      {
        "type": "I/SigI",
        "value": 16.684
      },
      {
        "type": "Completeness",
        "value": 96.12
      },
      {
        "type": "Redundancy",
        "value": 26.47
      },
      {
        "type": "CC(1/2)",
        "value": 0.9989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.830,1.730],
      "number_observations_unique": 2143,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.498
        },
        {
          "type": "R(meas)",
          "value": 2.547
        },
        {
          "type": "R(pim)",
          "value": 0.492
        },
        {
          "type": "I/SigI",
          "value": 1.630
        },
        {
          "type": "Completeness",
          "value": 25.31
        },
        {
          "type": "CC(1/2)",
          "value": 0.6201
        }
      ]
    }
  ]

}
  

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


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