Data quality metrics extracted from 3hpc.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": "bc8a72b652abe3b144a3e5d43eefee00",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.598,
    "b": 41.424,
    "c": 47.227,
    "alpha": 90.00,
    "beta": 92.98,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.120,1.470],
    "number_observations_unique": 28322,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04300
      },
      {
        "type": "I/SigI",
        "value": 20.1000
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 4.130
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.52,1.47],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32500
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 90.8
        },
        {
          "type": "Redundancy",
          "value": 2.65
        }
      ]
    }
  ]

}
  

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


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