Data quality metrics extracted from 29us.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "6b2fb44ebece3d2217ac88a56bdfa1f6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.033,
    "b": 58.910,
    "c": 64.925,
    "alpha": 93.02,
    "beta": 91.25,
    "gamma": 102.89
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.25,2.70],
    "number_observations_unique": 13855,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.137
      },
      {
        "type": "R(meas)",
        "value": 0.194
      },
      {
        "type": "I/SigI",
        "value": 6.7
      },
      {
        "type": "Completeness",
        "value": 94.1
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.975
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.86,2.70],
      "number_observations_unique": 2261,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.598
        },
        {
          "type": "R(meas)",
          "value": 0.580
        },
        {
          "type": "I/SigI",
          "value": 1.44
        },
        {
          "type": "Completeness",
          "value": 94.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.580
        }
      ]
    }
  ]

}
  

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


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