Data quality metrics extracted from 8h1a.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": "3c0dd4f9aecc470f8bd95abb85077789",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 50.494,
    "b": 63.910,
    "c": 135.044,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97965],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.34,1.44],
    "number_observations_unique": 67371,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "R(meas)",
        "value": 0.076
      },
      {
        "type": "R(pim)",
        "value": 0.021
      },
      {
        "type": "I/SigI",
        "value": 17.1
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 13.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.54,1.44],
      "number_observations_unique": 3369,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.955
        },
        {
          "type": "R(meas)",
          "value": 2.025
        },
        {
          "type": "R(pim)",
          "value": 0.525
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 66.5
        },
        {
          "type": "Redundancy",
          "value": 14.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.605
        }
      ]
    }
  ]

}
  

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


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