Data quality metrics extracted from 8ebh.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": "95400495528b7212a50d362d1c918f73",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.939,
    "b": 61.519,
    "c": 44.394,
    "alpha": 90.000,
    "beta": 116.913,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.29,1.33],
    "number_observations_unique": 46513,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04257
      },
      {
        "type": "R(meas)",
        "value": 0.04969
      },
      {
        "type": "R(pim)",
        "value": 0.02516
      },
      {
        "type": "I/SigI",
        "value": 16.72
      },
      {
        "type": "Completeness",
        "value": 98.15
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.378,1.33],
      "number_observations_unique": 4680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4458
        },
        {
          "type": "R(meas)",
          "value": 0.5246
        },
        {
          "type": "R(pim)",
          "value": 0.2707
        },
        {
          "type": "I/SigI",
          "value": 3.37
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.896
        }
      ]
    }
  ]

}
  

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


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