Data quality metrics extracted from 7kr1.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": "9eab52cb6f1c082279e256f3a59d88bb",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 134.837,
    "b": 30.447,
    "c": 37.878,
    "alpha": 90.00,
    "beta": 98.95,
    "gamma": 90.00
  },
  "wavelengths": [1.03314],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.6,1.55],
    "number_observations_unique": 22439,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1932
      },
      {
        "type": "R(pim)",
        "value": 0.04451
      },
      {
        "type": "I/SigI",
        "value": 9.07
      },
      {
        "type": "Completeness",
        "value": 99.99
      },
      {
        "type": "Redundancy",
        "value": 19.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.605,1.55],
      "number_observations_unique": 2242,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.87
        },
        {
          "type": "R(pim)",
          "value": 0.8803
        },
        {
          "type": "I/SigI",
          "value": 0.51
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 19.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.399
        }
      ]
    }
  ]

}
  

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


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