Data quality metrics extracted from 7ndo.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": "1a0d2de34b860cf90762f8c33102eb33",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 48.581,
    "b": 51.787,
    "c": 57.513,
    "alpha": 97.839,
    "beta": 113.516,
    "gamma": 110.417
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.8,1.6],
    "number_observations_unique": 56359,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05248
      },
      {
        "type": "R(meas)",
        "value": 0.06115
      },
      {
        "type": "R(pim)",
        "value": 0.03125
      },
      {
        "type": "I/SigI",
        "value": 11.81
      },
      {
        "type": "Completeness",
        "value": 93.56
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.657,1.6],
      "number_observations_unique": 5535,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.287
        },
        {
          "type": "R(meas)",
          "value": 1.499
        },
        {
          "type": "R(pim)",
          "value": 0.7659
        },
        {
          "type": "Completeness",
          "value": 92.11
        },
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.478
        }
      ]
    }
  ]

}
  

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


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