Data quality metrics extracted from 9hva.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": "65f28925f32c46b84c982bf87e2bd0ff",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 302.540,
    "b": 111.906,
    "c": 140.575,
    "alpha": 90.00,
    "beta": 115.99,
    "gamma": 90.00
  },
  "wavelengths": [0.97627],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.2,3.89],
    "number_observations_unique": 38889,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.387
      },
      {
        "type": "R(pim)",
        "value": 0.154
      },
      {
        "type": "I/SigI",
        "value": 4.5
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 7.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.984
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.96,3.89],
      "number_observations_unique": 1876,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.242
        }
      ]
    }
  ]

}
  

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


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