Data quality metrics extracted from 9min.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": "acaf334b338b80898182bbad246b89e9",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 95.452,
    "b": 98.536,
    "c": 155.743,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.27,2.05],
    "number_observations_unique": 92563,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.3252
      },
      {
        "type": "R(meas)",
        "value": 0.3326
      },
      {
        "type": "R(pim)",
        "value": 0.0686
      },
      {
        "type": "I/SigI",
        "value": 8.49
      },
      {
        "type": "Completeness",
        "value": 99.17
      },
      {
        "type": "Redundancy",
        "value": 23.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.12,2.05],
      "number_observations_unique": 9127,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.471
        },
        {
          "type": "R(meas)",
          "value": 3.545
        },
        {
          "type": "R(pim)",
          "value": 0.7168
        },
        {
          "type": "I/SigI",
          "value": 1.45
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 24
        },
        {
          "type": "CC(1/2)",
          "value": 0.349
        }
      ]
    }
  ]

}
  

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


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