Data quality metrics extracted from 1e29.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": "1a5d8d58daa5cc970d5c4b4dc142f89f",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 34.22,
    "b": 86.86,
    "c": 97.66,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.83740],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [97.700,1.210],
    "number_observations_unique": 42933,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04000
      },
      {
        "type": "I/SigI",
        "value": 31.1000
      },
      {
        "type": "Completeness",
        "value": 95.8
      },
      {
        "type": "Redundancy",
        "value": 4.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.23,1.21],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33800
        },
        {
          "type": "I/SigI",
          "value": 2.800
        },
        {
          "type": "Completeness",
          "value": 85.9
        },
        {
          "type": "Redundancy",
          "value": 3.70
        }
      ]
    }
  ]

}
  

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


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