Data quality metrics extracted from 3v98.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": "83eb9ff7df62e7b81ae29daea53fb65b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.410,
    "b": 202.503,
    "c": 76.971,
    "alpha": 90.00,
    "beta": 109.82,
    "gamma": 90.00
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.38,2.07],
    "number_observations_unique": 96485,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.19,2.07],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.37,2.20],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.59,2.38],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.90,2.60],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [3.35,2.91],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [49.38,3.36],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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