Data quality metrics extracted from 9w4g.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "500e3915999758c08ac08fb1078fc9c8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 36.99,
    "b": 110.59,
    "c": 112.66,
    "alpha": 90.00,
    "beta": 91.87,
    "gamma": 90.00
  },
  "wavelengths": [0.97853],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.74,2.11],
    "number_observations_unique": 51652,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 11.3
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [30.74,4.54],
      "number_observations_unique": 5259,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.54,3.61],
      "number_observations_unique": 5206,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.61,3.15],
      "number_observations_unique": 5176,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.15,2.86],
      "number_observations_unique": 5168,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [2.86,2.66],
      "number_observations_unique": 5133,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [2.66,2.50],
      "number_observations_unique": 5159,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.932
        }
      ]
    },
    {
      "resolution_limits": [2.50,2.38],
      "number_observations_unique": 5160,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.875
        }
      ]
    },
    {
      "resolution_limits": [2.38,2.27],
      "number_observations_unique": 5127,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.816
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.19],
      "number_observations_unique": 5090,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.699
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.11],
      "number_observations_unique": 5174,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.584
        }
      ]
    }
  ]

}
  

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


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