Data quality metrics extracted from 4j7b.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": "d19a60f6dd468b12def3a0a4e9252f9d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.681,
    "b": 57.453,
    "c": 125.736,
    "alpha": 89.15,
    "beta": 89.84,
    "gamma": 72.38
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25,2.3],
    "number_observations_unique": 56677,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 94
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.34,2.30],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.1
        }
      ]
    },
    {
      "resolution_limits": [2.43,2.38],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.3
        }
      ]
    },
    {
      "resolution_limits": [2.53,2.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.4
        }
      ]
    },
    {
      "resolution_limits": [4.94,4.32],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.7
        }
      ]
    },
    {
      "resolution_limits": [6.21,4.94],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.3
        }
      ]
    },
    {
      "resolution_limits": [25,6.21],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.3
        }
      ]
    }
  ]

}
  

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


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