Data quality metrics extracted from 3sob.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": "71b9fe9a6da310c61428641ab0f0b108",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 167.037,
    "b": 83.363,
    "c": 62.844,
    "alpha": 90.0,
    "beta": 111.8,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,1.9],
    "number_observations_unique": 57170,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 91.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.9],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 57.9
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.97],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 78
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.05],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.1
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.14],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.4
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.25],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.4
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.39],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.58],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.1
        }
      ]
    },
    {
      "resolution_limits": [3.25,2.84],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.4
        }
      ]
    },
    {
      "resolution_limits": [4.09,3.25],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.7
        }
      ]
    },
    {
      "resolution_limits": [30,4.09],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.8
        }
      ]
    }
  ]

}
  

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


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