Data quality metrics extracted from 8q44.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": "e5081c8122a8b634701a6582ee316e4c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 57.714,
    "b": 78.357,
    "c": 94.661,
    "alpha": 90.00,
    "beta": 95.35,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [57.46,2.3],
    "number_observations_unique": 37158,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07879
      },
      {
        "type": "R(meas)",
        "value": 0.0854
      },
      {
        "type": "R(pim)",
        "value": 0.03259
      },
      {
        "type": "I/SigI",
        "value": 13.22
      },
      {
        "type": "Completeness",
        "value": 99.03
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.382,2.3],
      "number_observations_unique": 3660,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7711
        },
        {
          "type": "R(meas)",
          "value": 0.8338
        },
        {
          "type": "R(pim)",
          "value": 0.3141
        },
        {
          "type": "I/SigI",
          "value": 2.46
        },
        {
          "type": "Completeness",
          "value": 98.62
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.854
        }
      ]
    }
  ]

}
  

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


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