Data quality metrics extracted from 8fc0.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": "fe35da0b17c574e25c422b60b7283b85",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 97.559,
    "b": 97.823,
    "c": 100.198,
    "alpha": 66.05,
    "beta": 69.68,
    "gamma": 70.02
  },
  "wavelengths": [1.45860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.19,2.00],
    "number_observations": 676536,
    "number_observations_unique": 196668,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.143
      },
      {
        "type": "R(meas)",
        "value": 0.170
      },
      {
        "type": "R(pim)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 5.4
      },
      {
        "type": "Completeness",
        "value": 94.3
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,2.00],
      "number_observations": 27537,
      "number_observations_unique": 9457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.615
        },
        {
          "type": "R(meas)",
          "value": 2.010
        },
        {
          "type": "R(pim)",
          "value": 1.169
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 2.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.217
        }
      ]
    }
  ]

}
  

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


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