Data quality metrics extracted from 3x1k.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": "806843f6b66ca74d7eb528059dfd434b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.325,
    "b": 89.787,
    "c": 80.315,
    "alpha": 90.00,
    "beta": 98.27,
    "gamma": 90.00
  },
  "wavelengths": [0.97480],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.745,2.547],
    "number_observations_unique": 36472,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 98.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.75,2.55],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.0
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.75],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [3.46,3.02],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.5
        }
      ]
    },
    {
      "resolution_limits": [4.36,3.46],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.0
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.36],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.0
        }
      ]
    }
  ]

}
  

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


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