Data quality metrics extracted from 7hui.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": "1cf470e6fdc39d899dd99b43b5016252",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 86.872,
    "b": 57.217,
    "c": 64.810,
    "alpha": 90.00,
    "beta": 94.68,
    "gamma": 90.00
  },
  "wavelengths": [0.92208],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [64.66,1.57],
    "number_observations": 288433,
    "number_observations_unique": 43780,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.284
      },
      {
        "type": "R(meas)",
        "value": 0.310
      },
      {
        "type": "R(pim)",
        "value": 0.122
      },
      {
        "type": "I/SigI",
        "value": 3.9
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.934
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.60,1.57],
      "number_observations": 12086,
      "number_observations_unique": 2036,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.809
        },
        {
          "type": "R(meas)",
          "value": 6.374
        },
        {
          "type": "R(pim)",
          "value": 2.593
        },
        {
          "type": "I/SigI",
          "value": 0.2
        },
        {
          "type": "Redundancy",
          "value": 5.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.181
        }
      ]
    }
  ]

}
  

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


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