Data quality metrics extracted from 7h30.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": "d6ea8b4de461da5d6289edff8b3dca12",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 86.40,
    "b": 56.44,
    "c": 64.71,
    "alpha": 90.00,
    "beta": 94.43,
    "gamma": 90.00
  },
  "wavelengths": [0.94056],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.89,1.34],
    "number_observations": 470955,
    "number_observations_unique": 69096,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "R(meas)",
        "value": 0.095
      },
      {
        "type": "R(pim)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 10.5
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.37,1.34],
      "number_observations": 32938,
      "number_observations_unique": 5071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.534
        },
        {
          "type": "R(meas)",
          "value": 2.751
        },
        {
          "type": "R(pim)",
          "value": 1.058
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Redundancy",
          "value": 6.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.288
        }
      ]
    }
  ]

}
  

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


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