Data quality metrics extracted from 7hul.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": "993d1f0cc285da66d3c195bb08b8972f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 88.853,
    "b": 58.454,
    "c": 32.841,
    "alpha": 90.00,
    "beta": 90.99,
    "gamma": 90.00
  },
  "wavelengths": [0.92208],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.37,1.26],
    "number_observations": 234036,
    "number_observations_unique": 38161,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.086
      },
      {
        "type": "R(meas)",
        "value": 0.093
      },
      {
        "type": "R(pim)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 13.3
      },
      {
        "type": "Completeness",
        "value": 84.3
      },
      {
        "type": "Redundancy",
        "value": 6.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.28,1.26],
      "number_observations": 2470,
      "number_observations_unique": 713,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.433
        },
        {
          "type": "R(meas)",
          "value": 1.687
        },
        {
          "type": "R(pim)",
          "value": 0.882
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.270
        }
      ]
    }
  ]

}
  

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


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