Data quality metrics extracted from 6h1d.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": "d01fba28a92edabe7055ed9b32a3fe67",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 71.841,
    "b": 71.841,
    "c": 131.113,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.28100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.58,1.94],
    "number_observations_unique": 26240,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.178
      },
      {
        "type": "R(pim)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 16.42
      },
      {
        "type": "Completeness",
        "value": 99.98
      },
      {
        "type": "Redundancy",
        "value": 24.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.01,1.94],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.903
        },
        {
          "type": "R(pim)",
          "value": 0.186
        },
        {
          "type": "I/SigI",
          "value": 3.49
        },
        {
          "type": "Completeness",
          "value": 99.88
        },
        {
          "type": "Redundancy",
          "value": 24.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.643
        }
      ]
    }
  ]

}
  

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


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