Data quality metrics extracted from 5moq.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": "4ac953560e3c8c1c0ea8680295696970",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 54.901,
    "b": 58.614,
    "c": 67.604,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.77490,2.67300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.618,0.93],
    "number_observations_unique": 145727,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 28.68
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 8.633
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.99,0.93],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.565
        },
        {
          "type": "I/SigI",
          "value": 4.47
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 8.435
        }
      ]
    },
    {
      "resolution_limits": [1.53,1.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.267
        },
        {
          "type": "I/SigI",
          "value": 3.244
        },
        {
          "type": "Completeness",
          "value": 69.6
        },
        {
          "type": "Redundancy",
          "value": 1.7
        }
      ]
    }
  ]

}
  

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


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