Data quality metrics extracted from 9xbt.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": "f5ffad16ee13198186856d309038627c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.555,
    "b": 42.211,
    "c": 126.413,
    "alpha": 90.00,
    "beta": 91.25,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.141],
    "number_observations_unique": 32468,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.31
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 6.11
      },
      {
        "type": "CC(1/2)",
        "value": 0.6009
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.20,2.15],
      "number_observations_unique": 2368,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.0133
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.20],
      "number_observations_unique": 2305,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.1493
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.26],
      "number_observations_unique": 2288,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.0111
        }
      ]
    }
  ]

}
  

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


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