Data quality metrics extracted from 4h2h.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": "7aeea56f0392130739afcf2d65aa6c87",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 91.035,
    "b": 152.824,
    "c": 113.027,
    "alpha": 90.0,
    "beta": 105.2,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [109.072,1.700],
    "number_observations_unique": 325934,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08500
      },
      {
        "type": "I/SigI",
        "value": 8.9000
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 3.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.57700
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 3.60
        }
      ]
    }
  ]

}
  

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


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