Data quality metrics extracted from 7ziu.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": "3bce34c2b8d7fbac33c66fa180a37056",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 64.285,
    "b": 79.793,
    "c": 133.255,
    "alpha": 90.00,
    "beta": 93.31,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.58,2.8],
    "number_observations_unique": 33010,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.3472
      },
      {
        "type": "R(meas)",
        "value": 0.3757
      },
      {
        "type": "R(pim)",
        "value": 0.1419
      },
      {
        "type": "I/SigI",
        "value": 6.13
      },
      {
        "type": "Completeness",
        "value": 98.80
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.983
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.9,2.8],
      "number_observations_unique": 3220,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.772
        },
        {
          "type": "R(meas)",
          "value": 1.918
        },
        {
          "type": "R(pim)",
          "value": 0.7265
        },
        {
          "type": "I/SigI",
          "value": 0.94
        },
        {
          "type": "Completeness",
          "value": 97.66
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.529
        }
      ]
    }
  ]

}
  

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


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