Data quality metrics extracted from 2cho.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": "eadf7e41a978539a91c9454c64538e6a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.685,
    "b": 93.454,
    "c": 98.828,
    "alpha": 75.51,
    "beta": 94.15,
    "gamma": 77.15
  },
  "wavelengths": [0.93930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,1.850],
    "number_observations_unique": 135175,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09000
      },
      {
        "type": "I/SigI",
        "value": 13.0000
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 3.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.85],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.49000
        },
        {
          "type": "I/SigI",
          "value": 3.000
        },
        {
          "type": "Completeness",
          "value": 96.0
        },
        {
          "type": "Redundancy",
          "value": 3.80
        }
      ]
    }
  ]

}
  

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


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