Data quality metrics extracted from 9hw6.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": "6c2b17888f8222c6003d3cabc065062d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 70.91,
    "b": 161.73,
    "c": 83.28,
    "alpha": 90.00,
    "beta": 92.21,
    "gamma": 90.00
  },
  "wavelengths": [0.96550],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.48,2.9],
    "number_observations_unique": 40947,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.86
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.96
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [9.32,3.0],
      "number_observations_unique": 37015,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 6.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.94
        }
      ]
    },
    {
      "resolution_limits": [3.0,2.9],
      "number_observations_unique": 3932,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.55
        }
      ]
    }
  ]

}
  

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


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