Data quality metrics extracted from 9h0z.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": "403b84b64d3abdaba6cab8f67815afb8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 64.900,
    "b": 76.297,
    "c": 187.790,
    "alpha": 90.000,
    "beta": 93.522,
    "gamma": 90.000
  },
  "wavelengths": [0.87260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.9,2.79],
    "number_observations_unique": 45722,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.157
      },
      {
        "type": "R(meas)",
        "value": 0.187
      },
      {
        "type": "R(pim)",
        "value": 0.100
      },
      {
        "type": "I/SigI",
        "value": 8.13
      },
      {
        "type": "Completeness",
        "value": 99.37
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.89,2.79],
      "number_observations_unique": 4378,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.779
        },
        {
          "type": "R(meas)",
          "value": 0.937
        },
        {
          "type": "R(pim)",
          "value": 0.516
        },
        {
          "type": "I/SigI",
          "value": 1.56
        },
        {
          "type": "Completeness",
          "value": 96.06
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.643
        }
      ]
    }
  ]

}
  

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


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