Data quality metrics extracted from 7k1h.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": "4d81c9ecaa50ef459c6314a89209b5c7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.848,
    "b": 88.336,
    "c": 93.841,
    "alpha": 118.25,
    "beta": 87.05,
    "gamma": 106.71
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [73.790,2.600],
    "number_observations_unique": 102625,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.190
      },
      {
        "type": "R(pim)",
        "value": 0.097
      },
      {
        "type": "I/SigI",
        "value": 5.600
      },
      {
        "type": "Completeness",
        "value": 93.800
      },
      {
        "type": "Redundancy",
        "value": 3.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.650,2.600],
      "number_observations": 8587,
      "number_observations_unique": 2266,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.211
        },
        {
          "type": "R(pim)",
          "value": 0.617
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 83.300
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [73.820,7.060],
      "number_observations": 9626,
      "number_observations_unique": 2579,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "R(pim)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 11.500
        },
        {
          "type": "Completeness",
          "value": 94.500
        },
        {
          "type": "Redundancy",
          "value": 3.700
        }
      ]
    }
  ]

}
  

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


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