Data quality metrics extracted from 7zo0.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": "4a4776c74f9f078aa22f8d3cb60fa820",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 53.582,
    "b": 87.507,
    "c": 95.586,
    "alpha": 90.00,
    "beta": 102.86,
    "gamma": 90.00
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.24,1.95],
    "number_observations_unique": 423928,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1299
      },
      {
        "type": "R(meas)",
        "value": 0.1409
      },
      {
        "type": "R(pim)",
        "value": 0.05409
      },
      {
        "type": "I/SigI",
        "value": 12.84
      },
      {
        "type": "Completeness",
        "value": 99.84
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,1.95],
      "number_observations_unique": 43184,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.223
        },
        {
          "type": "R(meas)",
          "value": 1.323
        },
        {
          "type": "R(pim)",
          "value": 0.4985
        },
        {
          "type": "I/SigI",
          "value": 1.91
        },
        {
          "type": "Completeness",
          "value": 99.77
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.648
        }
      ]
    }
  ]

}
  

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


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