Data quality metrics extracted from 8q41.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": "62349605ae718718468a43dd15b60f5d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.009,
    "b": 79.322,
    "c": 95.430,
    "alpha": 90.00,
    "beta": 94.85,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.33,2.38],
    "number_observations_unique": 29023,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.058
      },
      {
        "type": "R(meas)",
        "value": 0.06282
      },
      {
        "type": "R(pim)",
        "value": 0.02389
      },
      {
        "type": "I/SigI",
        "value": 21.16
      },
      {
        "type": "Completeness",
        "value": 88.04
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.465,2.38],
      "number_observations_unique": 3265,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3893
        },
        {
          "type": "R(meas)",
          "value": 0.42
        },
        {
          "type": "R(pim)",
          "value": 0.1564
        },
        {
          "type": "I/SigI",
          "value": 5.01
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 7.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.947
        }
      ]
    }
  ]

}
  

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


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