Data quality metrics extracted from 9gky.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": "a3b0bca8b3dc056451a7adfd4877fcab",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 51.11,
    "b": 51.15,
    "c": 108.82,
    "alpha": 90.00,
    "beta": 102.22,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.13],
    "number_observations_unique": 194694,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "R(meas)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 8.16
      },
      {
        "type": "Completeness",
        "value": 94.7
      },
      {
        "type": "Redundancy",
        "value": 3.45
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.2,1.13],
      "number_observations_unique": 29780,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.672
        },
        {
          "type": "R(meas)",
          "value": 1.997
        },
        {
          "type": "I/SigI",
          "value": 0.65
        },
        {
          "type": "Completeness",
          "value": 90.0
        },
        {
          "type": "Redundancy",
          "value": 3.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.301
        }
      ]
    }
  ]

}
  

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


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