Data quality metrics extracted from 9f3w.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": "2dfb9e469324b9c1af107a91e9bb07f1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 89.329,
    "b": 119.640,
    "c": 214.620,
    "alpha": 77.80,
    "beta": 85.16,
    "gamma": 69.27
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.29,2.7],
    "number_observations_unique": 191409,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.301
      },
      {
        "type": "R(meas)",
        "value": 0.351
      },
      {
        "type": "R(pim)",
        "value": 0.181
      },
      {
        "type": "I/SigI",
        "value": 4.7
      },
      {
        "type": "Completeness",
        "value": 85.8
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.85,2.70],
      "number_observations_unique": 26946,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.194
        },
        {
          "type": "R(meas)",
          "value": 1.401
        },
        {
          "type": "R(pim)",
          "value": 0.727
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 82.8
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.216
        }
      ]
    }
  ]

}
  

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


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