Data quality metrics extracted from 6y8z.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": "5aa4160bb75bfbe9dfa2f1444c416428",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 47.20,
    "b": 94.21,
    "c": 146.69,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.07227],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.90,2.05],
    "number_observations_unique": 38168,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.124
      },
      {
        "type": "R(meas)",
        "value": 0.140
      },
      {
        "type": "R(pim)",
        "value": 0.062
      },
      {
        "type": "I/SigI",
        "value": 7.5
      },
      {
        "type": "Completeness",
        "value": 91.2
      },
      {
        "type": "Redundancy",
        "value": 4.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.948
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.11,2.05],
      "number_observations_unique": 2184,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.023
        },
        {
          "type": "R(meas)",
          "value": 1.222
        },
        {
          "type": "R(pim)",
          "value": 0.636
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 69.0
        },
        {
          "type": "Redundancy",
          "value": 4.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.429
        }
      ]
    }
  ]

}
  

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


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