Data quality metrics extracted from 3u7w.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": "1f0d1afcce391b24fb9455baf39fc0b5",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 49.38,
    "b": 87.39,
    "c": 166.40,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.8,2.6],
    "number_observations_unique": 22795,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.6929,2.6000],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [2.8007,2.6929],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [2.9281,2.8007],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    },
    {
      "resolution_limits": [3.0824,2.9281],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [3.2755,3.0824],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.4
        }
      ]
    },
    {
      "resolution_limits": [3.5282,3.2755],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.1
        }
      ]
    },
    {
      "resolution_limits": [3.8830,3.5282],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [4.4441,3.8830],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.3
        }
      ]
    },
    {
      "resolution_limits": [5.5964,4.4441],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [38.6889,5.5964],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    }
  ]

}
  

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


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