Data quality metrics extracted from 2f4u.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": "c0b176131dac37c0366ea33ce583ee44",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 33.10,
    "b": 46.46,
    "c": 89.50,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [23.23,2.60],
    "number_observations_unique": 4451,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 5.8
      },
      {
        "type": "Completeness",
        "value": 97.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.69,2.60],
      "number_observations_unique": 27,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.423
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [2.80,2.69],
      "number_observations_unique": 30,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [2.93,2.80],
      "number_observations_unique": 18,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.93],
      "number_observations_unique": 24,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.300
        }
      ]
    },
    {
      "resolution_limits": [3.28,3.08],
      "number_observations_unique": 26,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.300
        }
      ]
    },
    {
      "resolution_limits": [3.53,3.28],
      "number_observations_unique": 27,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.500
        }
      ]
    },
    {
      "resolution_limits": [3.88,3.53],
      "number_observations_unique": 36,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.700
        }
      ]
    },
    {
      "resolution_limits": [4.44,3.88],
      "number_observations_unique": 34,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.500
        }
      ]
    },
    {
      "resolution_limits": [5.58,4.44],
      "number_observations_unique": 42,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.800
        }
      ]
    },
    {
      "resolution_limits": [23.23,5.58],
      "number_observations_unique": 49,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.200
        }
      ]
    }
  ]

}
  

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


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