Data quality metrics extracted from 8e1c.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": "3c044d137818e2ad87788a58cbba64b0",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 58.006,
    "b": 58.006,
    "c": 75.935,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97864],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.9,1.9],
    "number_observations_unique": 12038,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07468
      },
      {
        "type": "R(meas)",
        "value": 0.07902
      },
      {
        "type": "R(pim)",
        "value": 0.02545
      },
      {
        "type": "I/SigI",
        "value": 16.76
      },
      {
        "type": "Completeness",
        "value": 99.48
      },
      {
        "type": "Redundancy",
        "value": 9.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.9],
      "number_observations_unique": 1142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.286
        },
        {
          "type": "R(meas)",
          "value": 1.379
        },
        {
          "type": "R(pim)",
          "value": 0.4838
        },
        {
          "type": "I/SigI",
          "value": 1.58
        },
        {
          "type": "Completeness",
          "value": 97.35
        },
        {
          "type": "Redundancy",
          "value": 7.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.838
        }
      ]
    }
  ]

}
  

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


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