Data quality metrics extracted from 3uxn.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": "3de66149c60e505208e353b6a3816f20",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 77.946,
    "b": 67.447,
    "c": 83.357,
    "alpha": 90.00,
    "beta": 116.14,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.002,2.5],
    "number_observations_unique": 22615,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 83.93
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.5674,2.500],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 77
        }
      ]
    },
    {
      "resolution_limits": [2.6425,2.5674],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 81
        }
      ]
    },
    {
      "resolution_limits": [2.7273,2.6425],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 83
        }
      ]
    },
    {
      "resolution_limits": [2.8242,2.7273],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87
        }
      ]
    },
    {
      "resolution_limits": [2.9365,2.8242],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88
        }
      ]
    },
    {
      "resolution_limits": [3.0690,2.9365],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89
        }
      ]
    }
  ]

}
  

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


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