Data quality metrics extracted from 8jbm.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": "72270e90a3cb398ca9eab29fcbf9a7d5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 196.984,
    "b": 74.426,
    "c": 162.976,
    "alpha": 90.000,
    "beta": 116.333,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.9],
    "number_observations_unique": 54809,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.107
      },
      {
        "type": "I/SigI",
        "value": 7.26
      },
      {
        "type": "Completeness",
        "value": 58
      },
      {
        "type": "Redundancy",
        "value": 1.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.99,2.9],
      "number_observations_unique": 218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.382
        },
        {
          "type": "I/SigI",
          "value": 1.17
        },
        {
          "type": "Completeness",
          "value": 2.6
        },
        {
          "type": "Redundancy",
          "value": 1.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.502
        }
      ]
    }
  ]

}
  

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


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