Data quality metrics extracted from 7jkm.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": "5ebf22ca5adf74910768a3d270aa223a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 62.365,
    "b": 75.930,
    "c": 64.003,
    "alpha": 90.000,
    "beta": 90.814,
    "gamma": 90.000
  },
  "wavelengths": [0.91942],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.49,1.78],
    "number_observations_unique": 53611,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0255
      },
      {
        "type": "R(meas)",
        "value": 0.0361
      },
      {
        "type": "R(pim)",
        "value": 0.0255
      },
      {
        "type": "I/SigI",
        "value": 16.21
      },
      {
        "type": "Completeness",
        "value": 94.12
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.847,1.783],
      "number_observations_unique": 3714,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3287
        },
        {
          "type": "R(meas)",
          "value": 0.4649
        },
        {
          "type": "R(pim)",
          "value": 0.3287
        },
        {
          "type": "I/SigI",
          "value": 1.52
        },
        {
          "type": "Completeness",
          "value": 65.64
        },
        {
          "type": "Redundancy",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.866
        }
      ]
    }
  ]

}
  

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


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