Data quality metrics extracted from 6es1.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": "14f83e8342d5d1a1fc8928fb36778c08",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 100.714,
    "b": 122.108,
    "c": 47.657,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91991],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.66,2.00],
    "number_observations_unique": 40692,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.242
      },
      {
        "type": "I/SigI",
        "value": 9.4
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 13.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.00],
      "number_observations_unique": 2897,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.237
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 97.7
        },
        {
          "type": "Redundancy",
          "value": 13.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.481
        }
      ]
    }
  ]

}
  

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


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