Data quality metrics extracted from 8q53.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": "c91c63a9822a9f460d44771381c7940f",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 60.255,
    "b": 60.255,
    "c": 34.927,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99999],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.61,1.36],
    "number_observations_unique": 26382,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04224
      },
      {
        "type": "R(meas)",
        "value": 0.04575
      },
      {
        "type": "R(pim)",
        "value": 0.01733
      },
      {
        "type": "I/SigI",
        "value": 21.11
      },
      {
        "type": "Completeness",
        "value": 97.08
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.409,1.36],
      "number_observations_unique": 2575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7331
        },
        {
          "type": "R(meas)",
          "value": 0.794
        },
        {
          "type": "R(pim)",
          "value": 0.3021
        },
        {
          "type": "I/SigI",
          "value": 2.40
        },
        {
          "type": "Completeness",
          "value": 96.12
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.825
        }
      ]
    }
  ]

}
  

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


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