Data quality metrics extracted from 3v99.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": "00f0436e154bc85fbfde6e931be52d21",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 51.755,
    "b": 200.844,
    "c": 72.184,
    "alpha": 90.00,
    "beta": 105.65,
    "gamma": 90.00
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.57,2.25],
    "number_observations_unique": 62626,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 100.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.25],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.60,2.39],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.91,2.61],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [3.36,2.92],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [4.11,3.37],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [35.57,4.12],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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