Data quality metrics extracted from 7h4x.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": "a1e648c5832d1a0ecc4e1380f73404f7",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.783,
    "b": 60.484,
    "c": 32.341,
    "alpha": 90.00,
    "beta": 92.94,
    "gamma": 90.00
  },
  "wavelengths": [0.94054],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.48,1.51],
    "number_observations": 152943,
    "number_observations_unique": 21927,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.149
      },
      {
        "type": "R(meas)",
        "value": 0.161
      },
      {
        "type": "R(pim)",
        "value": 0.060
      },
      {
        "type": "I/SigI",
        "value": 9.5
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.54,1.51],
      "number_observations": 7602,
      "number_observations_unique": 1087,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.746
        },
        {
          "type": "R(meas)",
          "value": 2.963
        },
        {
          "type": "R(pim)",
          "value": 1.104
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.310
        }
      ]
    }
  ]

}
  

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


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