Data quality metrics extracted from 6w9x.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": "d9734c70721694e6ca69ee308bcdba79",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.521,
    "b": 60.757,
    "c": 76.338,
    "alpha": 90.00,
    "beta": 109.52,
    "gamma": 90.00
  },
  "wavelengths": [1.19500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.24,1.7],
    "number_observations_unique": 51847,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.7079
      },
      {
        "type": "R(meas)",
        "value": 0.752
      },
      {
        "type": "R(pim)",
        "value": 0.2518
      },
      {
        "type": "I/SigI",
        "value": 55.41
      },
      {
        "type": "Completeness",
        "value": 99.98
      },
      {
        "type": "Redundancy",
        "value": 8.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.75
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.7],
      "number_observations_unique": 5145,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.266
        },
        {
          "type": "R(meas)",
          "value": 1.35
        },
        {
          "type": "R(pim)",
          "value": 0.461
        },
        {
          "type": "I/SigI",
          "value": 5.3
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 8.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.539
        }
      ]
    }
  ]

}
  

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


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