Data quality metrics extracted from 6h5a.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": "296ddf6ee87a4cdf3966ec8fd23e3c5f",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 68.067,
    "b": 77.941,
    "c": 100.823,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000,1.88000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.699,1.88],
    "number_observations_unique": 43956,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1427
      },
      {
        "type": "R(meas)",
        "value": 0.1546
      },
      {
        "type": "R(pim)",
        "value": 0.0587
      },
      {
        "type": "I/SigI",
        "value": 9.52
      },
      {
        "type": "Completeness",
        "value": 98.870
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.950,1.88],
      "number_observations_unique": 4281,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.063
        },
        {
          "type": "R(meas)",
          "value": 1.152
        },
        {
          "type": "R(pim)",
          "value": 0.439
        },
        {
          "type": "I/SigI",
          "value": 1.46
        },
        {
          "type": "Completeness",
          "value": 97.92
        },
        {
          "type": "Redundancy",
          "value": 12.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.409
        }
      ]
    },
    {
      "resolution_limits": [3.19,3.19],
      "number_observations_unique": 922,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2156
        },
        {
          "type": "R(meas)",
          "value": 0.2238
        },
        {
          "type": "R(pim)",
          "value": 0.0596
        },
        {
          "type": "I/SigI",
          "value": 10.93
        },
        {
          "type": "Completeness",
          "value": 99.68
        },
        {
          "type": "Redundancy",
          "value": 13.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990
        }
      ]
    }
  ]

}
  

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


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