Data quality metrics extracted from 3wex.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": "0f794de3cbf8db85e010471f8125e607",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 61.15,
    "b": 64.37,
    "c": 130.36,
    "alpha": 92.99,
    "beta": 97.53,
    "gamma": 109.41
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [64.28,2.4],
    "number_observations_unique": 70445,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.201
      },
      {
        "type": "I/SigI",
        "value": 12.31
      },
      {
        "type": "Completeness",
        "value": 97.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.57,2.40],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.70
        },
        {
          "type": "Completeness",
          "value": 95.4
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.57],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.33
        },
        {
          "type": "Completeness",
          "value": 95.3
        }
      ]
    },
    {
      "resolution_limits": [3.14,2.81],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 7.58
        },
        {
          "type": "Completeness",
          "value": 98.0
        }
      ]
    },
    {
      "resolution_limits": [3.63,3.14],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 13.18
        },
        {
          "type": "Completeness",
          "value": 98.7
        }
      ]
    },
    {
      "resolution_limits": [4.44,3.63],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 20.16
        },
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [6.26,4.44],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 22.63
        },
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [64.3,6.26],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 24.37
        },
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    }
  ]

}
  

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


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