Data quality metrics extracted from 7kil.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": "aa525342f211f6f7bc57c13faa730d89",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 34.284,
    "b": 58.554,
    "c": 42.897,
    "alpha": 90.00,
    "beta": 100.06,
    "gamma": 90.00
  },
  "wavelengths": [1.28200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.2380,1.8980],
    "number_observations_unique": 13277,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.284
      },
      {
        "type": "R(meas)",
        "value": 0.308
      },
      {
        "type": "R(pim)",
        "value": 0.118
      },
      {
        "type": "I/SigI",
        "value": 3.900
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.971
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.950,1.8980],
      "number_observations": 5694,
      "number_observations_unique": 966,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.190
        },
        {
          "type": "R(meas)",
          "value": 1.309
        },
        {
          "type": "R(pim)",
          "value": 0.536
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.554
        }
      ]
    },
    {
      "resolution_limits": [42.230,8.500],
      "number_observations": 1012,
      "number_observations_unique": 155,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.189
        },
        {
          "type": "R(meas)",
          "value": 0.206
        },
        {
          "type": "R(pim)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 8.600
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.957
        }
      ]
    }
  ]

}
  

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


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