Data quality metrics extracted from 3u05.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": "3c2ba06fa663ec92f1c7f3cebc6cff80",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 24.10,
    "b": 39.88,
    "c": 65.79,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.98,1.02],
    "number_observations_unique": 52182,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "Completeness",
        "value": 84.0
      },
      {
        "type": "Redundancy",
        "value": 4.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.05,1.02],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 11.3
        }
      ]
    },
    {
      "resolution_limits": [1.08,1.05],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 42
        }
      ]
    },
    {
      "resolution_limits": [1.11,1.08],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 65.7
        }
      ]
    },
    {
      "resolution_limits": [1.14,1.11],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 82.3
        }
      ]
    },
    {
      "resolution_limits": [1.18,1.14],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.5
        }
      ]
    },
    {
      "resolution_limits": [1.22,1.18],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    }
  ]

}
  

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


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