Data quality metrics extracted from 6h6y.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": "690e225b151b848cdad5f8bf9f406f16",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 59.17,
    "b": 140.90,
    "c": 92.15,
    "alpha": 90.00,
    "beta": 91.81,
    "gamma": 90.00
  },
  "wavelengths": [0.97372],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.54,1.58],
    "number_observations_unique": 201459,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05531
      },
      {
        "type": "R(meas)",
        "value": 0.06586
      },
      {
        "type": "R(pim)",
        "value": 0.03542
      },
      {
        "type": "I/SigI",
        "value": 11.70
      },
      {
        "type": "Completeness",
        "value": 97.59
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.58],
      "number_observations_unique": 19534,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4741
        },
        {
          "type": "R(meas)",
          "value": 0.5666
        },
        {
          "type": "R(pim)",
          "value": 0.3072
        },
        {
          "type": "I/SigI",
          "value": 2.05
        },
        {
          "type": "Completeness",
          "value": 94.62
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.77
        }
      ]
    }
  ]

}
  

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


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