Data quality metrics extracted from 8crk.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": "d80fa6dcf30ec2e10a7a67549c9cc492",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 36.524,
    "b": 36.524,
    "c": 141.988,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96546,2.75000,4.50000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.52,1.04],
    "number_observations_unique": 85622,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.012
      },
      {
        "type": "I/SigI",
        "value": 10.18
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "Redundancy",
        "value": 5.65
      },
      {
        "type": "CC(1/2)",
        "value": 1.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.10,1.04],
      "number_observations_unique": 11714,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.079
        },
        {
          "type": "Completeness",
          "value": 63.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.17
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.77],
      "number_observations_unique": 320,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.055
        },
        {
          "type": "Completeness",
          "value": 63.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.98
        }
      ]
    },
    {
      "resolution_limits": [2.95,2.90],
      "number_observations_unique": 70,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    }
  ]

}
  

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


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