Data quality metrics extracted from 6je9.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": "f64fc7ea9a882f7e41b38a97e90cb22b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 112.844,
    "b": 156.196,
    "c": 151.600,
    "alpha": 90.00,
    "beta": 108.58,
    "gamma": 90.00
  },
  "wavelengths": [0.97892],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.46],
    "number_observations_unique": 65468,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "R(meas)",
        "value": 0.088
      },
      {
        "type": "R(pim)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 15.5
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 4.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.52,3.46],
      "number_observations_unique": 3286,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.952
        },
        {
          "type": "R(meas)",
          "value": 1.113
        },
        {
          "type": "R(pim)",
          "value": 0.567
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.138
        }
      ]
    }
  ]

}
  

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


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