Data quality metrics extracted from 1e5x.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": "b10c9c06b204c01a9a1acebbd329b2f2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.76,
    "b": 62.14,
    "c": 76.59,
    "alpha": 109.48,
    "beta": 97.61,
    "gamma": 112.74
  },
  "wavelengths": [0.97887],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,2.200],
    "number_observations_unique": 124846,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03300
      },
      {
        "type": "I/SigI",
        "value": 8.9000
      },
      {
        "type": "Completeness",
        "value": 97.2
      },
      {
        "type": "Redundancy",
        "value": 3.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18300
        },
        {
          "type": "I/SigI",
          "value": 3.000
        },
        {
          "type": "Completeness",
          "value": 95.3
        },
        {
          "type": "Redundancy",
          "value": 2.10
        }
      ]
    }
  ]

}
  

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


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