Data quality metrics extracted from 4jjo.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": "e82aaadc5c6c818976a6d6ab7f7886be",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 36.182,
    "b": 76.528,
    "c": 36.048,
    "alpha": 90.00,
    "beta": 99.88,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.0,1.75],
    "number_observations_unique": 17595,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.103
      },
      {
        "type": "Completeness",
        "value": 90.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.78,1.75],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.319
        },
        {
          "type": "Completeness",
          "value": 76.6
        }
      ]
    },
    {
      "resolution_limits": [1.81,1.78],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 77.8
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.81],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 79.9
        }
      ]
    },
    {
      "resolution_limits": [1.89,1.85],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 83.2
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.89],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 84.2
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.93],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.2
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.97],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88.3
        }
      ]
    },
    {
      "resolution_limits": [2.07,2.02],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.0
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.07],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89.3
        }
      ]
    },
    {
      "resolution_limits": [2.2,2.14],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89.2
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.2],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.5
        }
      ]
    },
    {
      "resolution_limits": [2.38,2.28],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.5
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.38],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.7
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.8
        }
      ]
    },
    {
      "resolution_limits": [2.78,2.61],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.8
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.78],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [3.29,2.99],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.9
        }
      ]
    },
    {
      "resolution_limits": [3.77,3.29],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [4.75,3.77],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.75],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.1
        }
      ]
    }
  ]

}
  

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


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