Data quality metrics extracted from 8e8u.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": "f6a667cbe72785f0abfd4772b6395a8a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 73.005,
    "b": 131.944,
    "c": 96.494,
    "alpha": 90.00,
    "beta": 100.72,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.560,2.650],
    "number_observations": 280133,
    "number_observations_unique": 50249,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.407
      },
      {
        "type": "R(meas)",
        "value": 0.446
      },
      {
        "type": "R(pim)",
        "value": 0.178
      },
      {
        "type": "I/SigI",
        "value": 2.700
      },
      {
        "type": "Completeness",
        "value": 96.400
      },
      {
        "type": "Redundancy",
        "value": 5.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.974
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.740,2.650],
      "number_observations": 26150,
      "number_observations_unique": 4674,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.385
        },
        {
          "type": "R(meas)",
          "value": 2.614
        },
        {
          "type": "R(pim)",
          "value": 1.045
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 5.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.431
        }
      ]
    },
    {
      "resolution_limits": [48.560,10.600],
      "number_observations": 4484,
      "number_observations_unique": 781,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.146
        },
        {
          "type": "R(meas)",
          "value": 0.159
        },
        {
          "type": "R(pim)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 6.700
        },
        {
          "type": "Completeness",
          "value": 92.800
        },
        {
          "type": "Redundancy",
          "value": 5.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    }
  ]

}
  

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


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