Data quality metrics extracted from 9rb1.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": "9843a5ac91f94f8261aabe0936c7c17d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 98.517,
    "b": 99.583,
    "c": 104.162,
    "alpha": 77.66,
    "beta": 75.94,
    "gamma": 67.67
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.92,1.61],
    "number_observations_unique": 437149,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "R(pim)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 10.2
      },
      {
        "type": "Completeness",
        "value": 70.6
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.668,1.61],
      "number_observations_unique": 1875,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.035
        },
        {
          "type": "R(meas)",
          "value": 1.247
        },
        {
          "type": "R(pim)",
          "value": 0.686
        },
        {
          "type": "I/SigI",
          "value": 1.12
        },
        {
          "type": "Completeness",
          "value": 4.11
        },
        {
          "type": "CC(1/2)",
          "value": 0.485
        }
      ]
    }
  ]

}
  

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


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