Data quality metrics extracted from 7jme.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": "d8f320818719b3e4d28833c9a87cc3b5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.210,
    "b": 33.036,
    "c": 60.476,
    "alpha": 90.000,
    "beta": 96.351,
    "gamma": 90.000
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.7,1.55],
    "number_observations_unique": 20508,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0764
      },
      {
        "type": "R(meas)",
        "value": 0.09095
      },
      {
        "type": "R(pim)",
        "value": 0.04878
      },
      {
        "type": "I/SigI",
        "value": 10.91
      },
      {
        "type": "Completeness",
        "value": 95.05
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.606,1.55],
      "number_observations_unique": 1938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.291
        },
        {
          "type": "R(meas)",
          "value": 0.3442
        },
        {
          "type": "R(pim)",
          "value": 0.1822
        },
        {
          "type": "I/SigI",
          "value": 4.23
        },
        {
          "type": "CC(1/2)",
          "value": 0.891
        }
      ]
    }
  ]

}
  

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


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