Data quality metrics extracted from 6x7e.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": "8ad729e456240c6b7697a7d3cb662136",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.090,
    "b": 78.003,
    "c": 50.189,
    "alpha": 90.00,
    "beta": 106.48,
    "gamma": 90.00
  },
  "wavelengths": [1.48550],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.7039,1.9987],
    "number_observations_unique": 23245,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0418
      },
      {
        "type": "R(meas)",
        "value": 0.04973
      },
      {
        "type": "R(pim)",
        "value": 0.02655
      },
      {
        "type": "I/SigI",
        "value": 23.76
      },
      {
        "type": "Completeness",
        "value": 96.31
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.071,1.999],
      "number_observations_unique": 2169,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09344
        },
        {
          "type": "R(meas)",
          "value": 0.1119
        },
        {
          "type": "R(pim)",
          "value": 0.06061
        },
        {
          "type": "I/SigI",
          "value": 9.79
        },
        {
          "type": "Completeness",
          "value": 90.83
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    }
  ]

}
  

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


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