Data quality metrics extracted from 5o3a.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": "a4d4983dd59a4dd79298032cb9a08cd6",
  "space_group_name": "I 41 2 2",
  "unit_cell": {
    "a": 126.799,
    "b": 126.799,
    "c": 43.194,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.1,2.4],
    "number_observations_unique": 7114,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09961
      },
      {
        "type": "I/SigI",
        "value": 17.11
      },
      {
        "type": "Completeness",
        "value": 99.18
      },
      {
        "type": "Redundancy",
        "value": 15.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.486,2.4],
      "number_observations_unique": 696,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3312
        },
        {
          "type": "I/SigI",
          "value": 5.14
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 14.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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