Data quality metrics extracted from 6zre.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": "aa492d46ab07630a3adeb14dba6c8cf0",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 86.797,
    "b": 86.797,
    "c": 1046.530,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.63,2.800],
    "number_observations_unique": 38761,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0167
      },
      {
        "type": "R(meas)",
        "value": 0.02361
      },
      {
        "type": "I/SigI",
        "value": 15.77
      },
      {
        "type": "Completeness",
        "value": 99.48
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.920,2.800],
      "number_observations": 45921,
      "number_observations_unique": 4588,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.489
        },
        {
          "type": "R(meas)",
          "value": 1.571
        },
        {
          "type": "R(pim)",
          "value": 0.495
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 10.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.888
        }
      ]
    },
    {
      "resolution_limits": [49.340,9.700],
      "number_observations": 8717,
      "number_observations_unique": 1076,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.036
        },
        {
          "type": "R(pim)",
          "value": 0.013
        },
        {
          "type": "I/SigI",
          "value": 45.700
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 8.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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