Data quality metrics extracted from 7h3g.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": "6c1d8628796f707f7a2efd1d54e73df0",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 86.49,
    "b": 56.44,
    "c": 64.60,
    "alpha": 90.00,
    "beta": 94.45,
    "gamma": 90.00
  },
  "wavelengths": [0.94055],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.88,1.37],
    "number_observations": 441787,
    "number_observations_unique": 64705,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "R(meas)",
        "value": 0.086
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 11.5
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.41,1.37],
      "number_observations": 28790,
      "number_observations_unique": 4755,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.417
        },
        {
          "type": "R(meas)",
          "value": 2.646
        },
        {
          "type": "R(pim)",
          "value": 1.057
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Redundancy",
          "value": 6.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.256
        }
      ]
    }
  ]

}
  

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


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