Data quality metrics extracted from 9ejr.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": "d9642573363484251987efcf848238d7",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 44.855,
    "b": 108.664,
    "c": 122.257,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92015],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.59,2.037],
    "number_observations_unique": 39071,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.5272
      },
      {
        "type": "R(meas)",
        "value": 0.5545
      },
      {
        "type": "R(pim)",
        "value": 0.1696
      },
      {
        "type": "I/SigI",
        "value": 3.84
      },
      {
        "type": "Completeness",
        "value": 82.07
      },
      {
        "type": "Redundancy",
        "value": 10.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.1,2.037],
      "number_observations_unique": 3161,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.034
        },
        {
          "type": "R(meas)",
          "value": 3.186
        },
        {
          "type": "R(pim)",
          "value": 0.9657
        },
        {
          "type": "I/SigI",
          "value": 0.87
        },
        {
          "type": "Completeness",
          "value": 15.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    }
  ]

}
  

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


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