Data quality metrics extracted from 7hrx.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": "996ba6dd0b5076aca6606d45bce38214",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 99.281,
    "b": 99.304,
    "c": 129.980,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [78.92,1.69],
    "number_observations": 988135,
    "number_observations_unique": 71977,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.206
      },
      {
        "type": "R(meas)",
        "value": 0.214
      },
      {
        "type": "R(pim)",
        "value": 0.057
      },
      {
        "type": "I/SigI",
        "value": 8.1
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 13.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.72,1.69],
      "number_observations": 50730,
      "number_observations_unique": 3657,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.485
        },
        {
          "type": "R(meas)",
          "value": 4.660
        },
        {
          "type": "R(pim)",
          "value": 1.250
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Redundancy",
          "value": 13.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.357
        }
      ]
    }
  ]

}
  

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


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