Data quality metrics extracted from 5k7r.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": "6c883b88cfa2e1afd47f644daba362f6",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 53.184,
    "b": 56.428,
    "c": 64.672,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.63,1.50],
    "number_observations_unique": 23542,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.773
      },
      {
        "type": "R(pim)",
        "value": 0.332
      },
      {
        "type": "I/SigI",
        "value": 2.3
      },
      {
        "type": "Completeness",
        "value": 73.8
      },
      {
        "type": "Redundancy",
        "value": 6.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.50],
      "number_observations_unique": 402,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.632
        },
        {
          "type": "R(pim)",
          "value": 3.240
        },
        {
          "type": "I/SigI",
          "value": 0.3
        },
        {
          "type": "Completeness",
          "value": 18.2
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    },
    {
      "resolution_limits": [27.63,8.22],
      "number_observations_unique": 1609,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.210
        },
        {
          "type": "R(pim)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 7.6
        },
        {
          "type": "Completeness",
          "value": 94.2
        },
        {
          "type": "Redundancy",
          "value": 7.4
        }
      ]
    }
  ]

}
  

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


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