Data quality metrics extracted from 5ef3.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": "99dcb03036cd158825c4906f6413dc91",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 141.23,
    "b": 111.16,
    "c": 138.29,
    "alpha": 90.00,
    "beta": 117.37,
    "gamma": 90.00
  },
  "wavelengths": [0.94000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.710,1.980],
    "number_observations": 472868,
    "number_observations_unique": 130840,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.131
      },
      {
        "type": "R(pim)",
        "value": 0.080
      },
      {
        "type": "I/SigI",
        "value": 7.200
      },
      {
        "type": "Completeness",
        "value": 99.100
      },
      {
        "type": "Redundancy",
        "value": 3.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.010,1.980],
      "number_observations": 21560,
      "number_observations_unique": 6387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.391
        },
        {
          "type": "R(pim)",
          "value": 1.494
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.227
        }
      ]
    },
    {
      "resolution_limits": [62.710,10.840],
      "number_observations": 2761,
      "number_observations_unique": 797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(pim)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 26.900
        },
        {
          "type": "Completeness",
          "value": 94.000
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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