Data quality metrics extracted from 5s73.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": "24dc5acb21d1695b0ebccffe6ba9fae7",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 87.930,
    "b": 87.930,
    "c": 38.464,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91258],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [88.230,1.060],
    "number_observations_unique": 108843,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 6.300
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.080,1.060],
      "number_observations_unique": 6203,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.321
        },
        {
          "type": "I/SigI",
          "value": 0.100
        },
        {
          "type": "Completeness",
          "value": 93.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.310
        }
      ]
    },
    {
      "resolution_limits": [88.230,2.880],
      "number_observations_unique": 6940,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 47.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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