Data quality metrics extracted from 7r0g.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": "fac5cf2b1ed2f54822ec1d54a06061c9",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 128.194,
    "b": 226.056,
    "c": 111.106,
    "alpha": 90.000,
    "beta": 134.062,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,4.00],
    "number_observations_unique": 36001,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2057
      },
      {
        "type": "R(meas)",
        "value": 0.219
      },
      {
        "type": "R(pim)",
        "value": 0.07477
      },
      {
        "type": "I/SigI",
        "value": 6.88
      },
      {
        "type": "Completeness",
        "value": 93.94
      },
      {
        "type": "Redundancy",
        "value": 8.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.154,4.011],
      "number_observations_unique": 1863,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.855
        },
        {
          "type": "R(meas)",
          "value": 4.099
        },
        {
          "type": "R(pim)",
          "value": 1.386
        },
        {
          "type": "I/SigI",
          "value": 0.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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