Data quality metrics extracted from 3uxw.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": "94751652b1f15959feeab3cd4e4b3362",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 49.143,
    "b": 66.855,
    "c": 50.052,
    "alpha": 90.0,
    "beta": 111.4,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,2.00],
    "number_observations_unique": 19462,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 94.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,2],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 56.4
        }
      ]
    },
    {
      "resolution_limits": [2.07,2.03],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 70.1
        }
      ]
    },
    {
      "resolution_limits": [2.11,2.07],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.8
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.11],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.7
        }
      ]
    },
    {
      "resolution_limits": [2.20,2.15],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.2
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.20],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.7
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.25],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.2
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.31],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.5
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.37],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.1
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.44],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.7
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.52],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.5
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.61],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.71],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.8
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.84],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [3.17,2.99],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.8
        }
      ]
    },
    {
      "resolution_limits": [3.42,3.17],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [3.76,3.42],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [4.31,3.76],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.4
        }
      ]
    },
    {
      "resolution_limits": [5.42,4.31],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [40,5.42],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.3
        }
      ]
    }
  ]

}
  

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


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