Data quality metrics extracted from 9mxd.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "fc97b2d01e163559904b32996f52c89b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 28.93,
    "b": 56.83,
    "c": 44.81,
    "alpha": 90.00,
    "beta": 97.26,
    "gamma": 90.00
  },
  "wavelengths": [0.92019],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.42,1.17],
    "number_observations": 322105,
    "number_observations_unique": 48132,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052
      },
      {
        "type": "R(meas)",
        "value": 0.057
      },
      {
        "type": "R(pim)",
        "value": 0.022
      },
      {
        "type": "I/SigI",
        "value": 14.3
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.20,1.17],
      "number_observations": 18803,
      "number_observations_unique": 3391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.836
        },
        {
          "type": "R(meas)",
          "value": 0.924
        },
        {
          "type": "R(pim)",
          "value": 0.386
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Redundancy",
          "value": 5.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.776
        }
      ]
    }
  ]

}
  

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


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