Data quality metrics extracted from 5c5k.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": "a27d073cbcb9fa5e3d1cfe7f41b1a522",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 89.399,
    "b": 192.747,
    "c": 225.071,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.800,3.310],
    "number_observations": 1137231,
    "number_observations_unique": 55199,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.242
      },
      {
        "type": "R(pim)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 22.400
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 20.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.480,3.310],
      "number_observations": 94099,
      "number_observations_unique": 4464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.616
        },
        {
          "type": "R(pim)",
          "value": 0.793
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 21.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.469
        }
      ]
    },
    {
      "resolution_limits": [48.800,14.340],
      "number_observations": 12575,
      "number_observations_unique": 812,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 124.900
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "Redundancy",
          "value": 15.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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