Data quality metrics extracted from 8q1x.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": "3cf2e5d08b7c737fb1f587bcdd2d8071",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 60.535,
    "b": 115.452,
    "c": 101.335,
    "alpha": 90.00,
    "beta": 106.62,
    "gamma": 90.00
  },
  "wavelengths": [0.98141],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.55,1.85],
    "number_observations_unique": 111313,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.014
      },
      {
        "type": "I/SigI",
        "value": 8.13
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 4.05
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.85],
      "number_observations_unique": 17357,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.1849
        },
        {
          "type": "CC(1/2)",
          "value": 0.417
        }
      ]
    }
  ]

}
  

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


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