Data quality metrics extracted from 4dex.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": "2c927f76f9a4356213d4d64096f516b8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 36.908,
    "b": 68.661,
    "c": 79.158,
    "alpha": 90.00,
    "beta": 102.55,
    "gamma": 90.00
  },
  "wavelengths": [0.87300,0.91800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.0],
    "number_observations_unique": 26222,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 90.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.421
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 53.6
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.4],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.239
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 55.1
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.4],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.227
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 51.2
        }
      ]
    }
  ]

}
  

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


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