Data quality metrics extracted from 3uxp.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": "615f4f8794ed9c426e37674a8ecd5aba",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 100.321,
    "b": 56.607,
    "c": 93.144,
    "alpha": 90.00,
    "beta": 102.04,
    "gamma": 90.00
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.195,2.723],
    "number_observations_unique": 25030,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 90.08
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.7907,2.7226],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 66
        }
      ]
    },
    {
      "resolution_limits": [2.8660,2.7907],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 78
        }
      ]
    },
    {
      "resolution_limits": [2.9503,2.8660],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 79
        }
      ]
    },
    {
      "resolution_limits": [3.0454,2.9503],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 82
        }
      ]
    },
    {
      "resolution_limits": [3.1541,3.0454],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87
        }
      ]
    },
    {
      "resolution_limits": [3.2801,3.1541],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91
        }
      ]
    }
  ]

}
  

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


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