Data quality metrics extracted from 4u8l.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": "cf63154e4f6cec306f765d688110e9e4",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 218.181,
    "b": 218.181,
    "c": 321.904,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [122.530,2.300],
    "number_observations": 954588,
    "number_observations_unique": 197338,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.167
      },
      {
        "type": "R(pim)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 7.600
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 4.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.979
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.340,2.300],
      "number_observations": 47492,
      "number_observations_unique": 9667,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.167
        },
        {
          "type": "R(pim)",
          "value": 0.572
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.563
        }
      ]
    },
    {
      "resolution_limits": [122.530,12.600],
      "number_observations": 5887,
      "number_observations_unique": 1325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(pim)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 19.700
        },
        {
          "type": "Completeness",
          "value": 94.700
        },
        {
          "type": "Redundancy",
          "value": 4.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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