Data quality metrics extracted from 8f70.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": "ed12ff5808583bd4dac3fef14fec4461",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 34.294,
    "b": 46.976,
    "c": 380.633,
    "alpha": 90.00,
    "beta": 90.12,
    "gamma": 90.00
  },
  "wavelengths": [0.95374],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.58,2.29],
    "number_observations": 145410,
    "number_observations_unique": 27529,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.154
      },
      {
        "type": "R(meas)",
        "value": 0.170
      },
      {
        "type": "R(pim)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 7.2
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 5.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.37,2.29],
      "number_observations": 13215,
      "number_observations_unique": 2540,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.090
        },
        {
          "type": "R(meas)",
          "value": 1.206
        },
        {
          "type": "R(pim)",
          "value": 0.506
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Redundancy",
          "value": 5.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.714
        }
      ]
    }
  ]

}
  

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


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