Data quality metrics extracted from 9x02.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": "dd9d6d41f25b7c07a1f2af2f89815d70",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 72.007,
    "b": 37.170,
    "c": 80.492,
    "alpha": 90.00,
    "beta": 115.77,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.39,1.47],
    "number_observations": 445751,
    "number_observations_unique": 65405,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.282
      },
      {
        "type": "R(meas)",
        "value": 0.306
      },
      {
        "type": "R(pim)",
        "value": 0.116
      },
      {
        "type": "I/SigI",
        "value": 15.6
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.50,1.47],
      "number_observations": 21963,
      "number_observations_unique": 3152,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.153
        },
        {
          "type": "R(meas)",
          "value": 1.245
        },
        {
          "type": "R(pim)",
          "value": 0.468
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.600
        }
      ]
    }
  ]

}
  

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


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