Data quality metrics extracted from 15ef.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "04e8d100dece0aea90a3d8c6d5b624d4",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 88.745,
    "b": 88.745,
    "c": 39.513,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.77488],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.690,0.930],
    "number_observations": 1346805,
    "number_observations_unique": 204299,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "R(meas)",
        "value": 0.066
      },
      {
        "type": "R(pim)",
        "value": 0.025
      },
      {
        "type": "I/SigI",
        "value": 11.500
      },
      {
        "type": "Completeness",
        "value": 99.100
      },
      {
        "type": "Redundancy",
        "value": 6.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.950,0.930],
      "number_observations": 40578,
      "number_observations_unique": 8994,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.442
        },
        {
          "type": "R(meas)",
          "value": 1.632
        },
        {
          "type": "R(pim)",
          "value": 0.744
        },
        {
          "type": "I/SigI",
          "value": 0.600
        },
        {
          "type": "Completeness",
          "value": 88.600
        },
        {
          "type": "Redundancy",
          "value": 4.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.472
        }
      ]
    },
    {
      "resolution_limits": [39.690,5.090],
      "number_observations": 8940,
      "number_observations_unique": 1337,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "R(pim)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 32.900
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    }
  ]

}
  

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


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