Data quality metrics extracted from 3s6x.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": "4f985485fd182295cca246d9687d41ae",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 87.15,
    "b": 333.18,
    "c": 58.49,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.611,2.25],
    "number_observations_unique": 78323,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 95.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.31,2.25],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89.7
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.31],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88.9
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.37],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.8
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.44],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88.8
        }
      ]
    },
    {
      "resolution_limits": [2.60,2.52],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.4
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.60],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.2
        }
      ]
    },
    {
      "resolution_limits": [2.79,2.69],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.9
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.79],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.0
        }
      ]
    },
    {
      "resolution_limits": [3.03,2.90],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.9
        }
      ]
    },
    {
      "resolution_limits": [3.18,3.03],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.35,3.18],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.56,3.35],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.80,3.56],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [4.11,3.80],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [4.5,4.11],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    },
    {
      "resolution_limits": [5.03,4.5],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [5.81,5.03],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    },
    {
      "resolution_limits": [7.12,5.81],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [10.06,7.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [38.611,10.06],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.4
        }
      ]
    }
  ]

}
  

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


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