Data quality metrics extracted from 3sj2.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": "65b16a6dfd323a05d48285624bbc83ff",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 55.660,
    "b": 32.320,
    "c": 69.442,
    "alpha": 90.00,
    "beta": 108.95,
    "gamma": 90.00
  },
  "wavelengths": [0.97945],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.56,1.36],
    "number_observations_unique": 24111,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 98.64
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.46,1.36],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.46],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.56],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.68],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [2.06,1.84],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [2.38,2.06],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.9
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.38],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.0
        }
      ]
    },
    {
      "resolution_limits": [4.12,2.92],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.1
        }
      ]
    },
    {
      "resolution_limits": [27.56,4.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.6
        }
      ]
    }
  ]

}
  

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


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