Data quality metrics extracted from 7h41.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": "1505b747002ede12273bc04f6f6a8e3e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.506,
    "b": 60.485,
    "c": 32.415,
    "alpha": 90.00,
    "beta": 93.11,
    "gamma": 90.00
  },
  "wavelengths": [0.94054],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.41,1.65],
    "number_observations": 117341,
    "number_observations_unique": 16804,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.238
      },
      {
        "type": "R(meas)",
        "value": 0.258
      },
      {
        "type": "R(pim)",
        "value": 0.097
      },
      {
        "type": "I/SigI",
        "value": 3.6
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.68,1.65],
      "number_observations": 5803,
      "number_observations_unique": 833,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.248
        },
        {
          "type": "R(meas)",
          "value": 2.432
        },
        {
          "type": "R(pim)",
          "value": 0.919
        },
        {
          "type": "I/SigI",
          "value": 0.3
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.272
        }
      ]
    }
  ]

}
  

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


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