Data quality metrics extracted from 9d2x.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": "4817c0b17cc8e9f9317bb8f3e25ddae3",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 36.934,
    "b": 42.939,
    "c": 62.534,
    "alpha": 79.209,
    "beta": 81.529,
    "gamma": 76.185
  },
  "wavelengths": [0.92012],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.35,2.29],
    "number_observations_unique": 15141,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03905
      },
      {
        "type": "R(meas)",
        "value": 0.05522
      },
      {
        "type": "R(pim)",
        "value": 0.03905
      },
      {
        "type": "I/SigI",
        "value": 11.02
      },
      {
        "type": "Completeness",
        "value": 91.92
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.372,2.29],
      "number_observations_unique": 1543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3318
        },
        {
          "type": "R(meas)",
          "value": 0.4692
        },
        {
          "type": "R(pim)",
          "value": 0.3318
        },
        {
          "type": "I/SigI",
          "value": 2.19
        },
        {
          "type": "Completeness",
          "value": 93.11
        },
        {
          "type": "Redundancy",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.854
        }
      ]
    }
  ]

}
  

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


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