Data quality metrics extracted from 5d80.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": "c0069a117e2af63d771081b9babbead7",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 468.02,
    "b": 159.65,
    "c": 248.27,
    "alpha": 90.00,
    "beta": 113.75,
    "gamma": 90.00
  },
  "wavelengths": [0.62790],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.720,6.010],
    "number_observations": 463370,
    "number_observations_unique": 41729,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.258
      },
      {
        "type": "R(pim)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 11.000
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 11.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.981
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [6.340,6.010],
      "number_observations": 65486,
      "number_observations_unique": 5959,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.349
        },
        {
          "type": "R(pim)",
          "value": 1.367
        },
        {
          "type": "I/SigI",
          "value": 0.600
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 11.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.232
        }
      ]
    },
    {
      "resolution_limits": [39.720,19.020],
      "number_observations": 11036,
      "number_observations_unique": 1244,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.225
        },
        {
          "type": "R(pim)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 37.500
        },
        {
          "type": "Completeness",
          "value": 89.200
        },
        {
          "type": "Redundancy",
          "value": 8.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.928
        }
      ]
    }
  ]

}
  

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


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