Data quality metrics extracted from 8dla.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": "4fcad8a8a55789d5a65fce1e8c3d7620",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 97.00,
    "b": 98.01,
    "c": 97.97,
    "alpha": 97.16,
    "beta": 114.15,
    "gamma": 114.16
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.09,2.66],
    "number_observations_unique": 63377,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "R(meas)",
        "value": 0.112
      },
      {
        "type": "I/SigI",
        "value": 5.1
      },
      {
        "type": "Completeness",
        "value": 90.8
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.86,2.66],
      "number_observations_unique": 3388,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.556
        }
      ]
    }
  ]

}
  

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


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